Semustine

Semustine

SCHEMBL4500

CC1CCC(NC(=O)N(CCCl)N=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
ADRA2A P08913 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
PDE4A P27815 1/20 0.75
ADRA1A P35348 1/20 0.75
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
MEN1 O00255 1/20 0.49
ABCB11 O95342 1/20 0.49
GSR P00390 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.44
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Semustine SCHEMBL4959160 1.00 ALDH1A1 (1.00) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Semustine SCHEMBL28854924 0.98 ALDH1A1 (0.97) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Semustine SCHEMBL2350016 0.96 ALDH1A1 (0.92) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Semustine SCHEMBL8980108 0.89 ALDH1A1 (0.79) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL3341311 0.86 ADRA2A (0.77) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL3341308 0.86 ADRA2A (0.77) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Lomustine SCHEMBL868328 0.86 ADRA2A (1.00) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Lomustine SCHEMBL3995 0.86 ADRA2A (1.00) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL21693655 0.85 ADRA2A (0.75) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL21693656 0.85 ADRA2A (0.75) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 37090 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978473-B1 COMPOUND CONTAINING AN INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO MEDICAL TECH CO LTD (CN) 2026-05-06 EP claimed
US-20260116861-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-04-30 US claimed
EP-4729063-A2 TREATMENT OF CANCER USING COENZYME Q10 COMBINATION THERAPIES BPGbio, Inc. (US) 2026-04-22 EP claimed
US-20260102468-A1 COMPOSITIONS AND METHODS FOR MARCO INHIBITION AND IMPROVED DRUG DELIVERY UNIV TEXAS (US) 2026-04-16 US claimed
EP-3515892-B1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2026-04-15 EP claimed
EP-4719455-A2 METHODS FOR TREATING IGF-1R-RELATED PEDIATRIC CANCERS WITH AN INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR LIGAND CONJUGATED TO A CYTOTOXIC AGENT Lirum Therapeutics, Inc. (US) 2026-04-08 EP claimed
EP-4719451-A2 METHODS FOR TREATING IGF-1R-RELATED CANCERS WITH AN INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR LIGAND CONJUGATED TO A CYTOTOXIC AGENT Lirum Therapeutics, Inc. (US) 2026-04-08 EP claimed
US-20260085061-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2026-03-26 US claimed
EP-4710918-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR, OPHTHALMIC KIT CONTAINING OPHTHALMIC PHARMACEUTICAL COMPOSITION, AND USE Shenyang Xingqi Pharmaceutical Co., Ltd. (CN) 2026-03-18 EP claimed
CN-121586579-A Methods for treating IGF-1R-related cancers with insulin-like growth factor 1 receptor ligands conjugated to cytotoxic agents 利鲁姆治疗公司 2026-02-27 CN claimed
EP-0546951-A1 Combination of liposome encapsulated antineoplastic agents, such as doxorubicin with colony stimulating factors THE LIPOSOME COMPANY, INC. (US) 1993-06-16 EP claimed
EP-0359347-B1 COVALENTLY-LINKED COMPLEXES AND METHODS FOR ENHANCED CYTOTOXICITY AND IMAGING NEORX CORPORATION (US) 1992-12-23 EP claimed
EP-0478631-A1 TARGETTING AGENTS. CANCER RES CAMPAIGN TECH (GB) 1992-04-08 EP claimed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US claimed
WO-1991000111-A1 TARGETTING AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1991-01-10 WO claimed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 US claimed
EP-0393575-A1 Neoplasia treatment compositions containing antineoplastic agent and side-effect reducing protective agent G.D. Searle & Co. (US) 1990-10-24 EP claimed
EP-0359347-A2 Covalently-linked complexes and methods for enhanced cytotoxicity and imaging NEORX CORPORATION (US) 1990-03-21 EP claimed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 EP claimed
EP-0227593-A1 Use of chelating agents THE HOSPITAL FOR SICK CHILDREN (CA) 1987-07-01 EP claimed