SCHEMBL441370

SCHEMBL441370

CN(C)N=Nc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
AGTR1 P30556 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PAX8 Q06710 1/20 0.41
MMP9 P14780 1/20 0.41
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11107953 0.82 MEN1 (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1NPC1
SCHEMBL11103862 0.82 MEN1 (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1NPC1
SCHEMBL5487957 0.82 MEN1 (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1NPC1
Hydrochloric Acid SCHEMBL28371398 0.79 MEN1 (0.50) ALDH1A1SMN1; SMN2MEN1NPC1HSP90AA1
Benzene SCHEMBL28173940 0.77 MEN1 (0.48) ALDH1A1TSHRSMN1; SMN2MEN1NPC1
SCHEMBL672540 0.76
Propane SCHEMBL28437167 0.76 MEN1 (0.44) ALDH1A1SMN1; SMN2MEN1NPC1HSP90AA1
SCHEMBL5174649 0.72 NPC1 (0.54) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL18087701 0.72 NPC1 (0.54) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5711645 0.71 NPC1 (0.53) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2

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

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296984-A1 THERAPEUTIC AND DIAGNOSTIC AGENTS AND USES THEREOF THELPER AS (NO) 2025-09-25 US disclosed
US-20140065148-A1 TREATMENT METHODS USING ANTIBODIES TO AMINOPHOSPHOLIPIDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-03-06 US disclosed
US-8501243-B2 Targeting cancer therapy combination YU, BAOFA 2013-08-06 US disclosed
US-20120214757-A1 Methods and Compositions for Treating Cancer Using Proteasome Inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-08-23 US disclosed
US-20120064037-A1 Methods For Treating Diseases and HCV Using Antibodies To Aminophospholipids BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2012-03-15 US disclosed
US-7871775-B2 Compositions and methods for the identification, assessment, prevention and therapy of human cancers MILLENNIUM PHARMACEUTICALS, INC (US) 2011-01-18 US disclosed
US-20100104660-A1 COMPOSITION AND METHOD FOR TREATING TUMOR YU, BAOFA 2010-04-29 US disclosed
US-20080286780-A1 Novel compositions and methods for the identification, assessment, prevention and therapy of human cancers MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-20 US disclosed
EP-1786411-A2 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS Board of Regents, The University of Texas System (US) 2007-05-23 EP disclosed
WO-2006020403-A2 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-23 WO disclosed
US-6689398-B2 CONTROLLING APOPTOSIS; ANTITUMOR AGENT; GLYCYRRHETINIC ACID MIXTURES RESEARCH DEVELOPMENT FOUNDATION 2004-02-10 US disclosed
US-6284267-B1 Amphiphilic materials and liposome formulations thereof NUTRIMED BIOTECH 2001-09-04 US disclosed
US-6255347-B1 ALZHEIMER'S DISEASE ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE 2001-07-03 US disclosed
WO-1997048391-A9 METHODS AND COMPOSITIONS COMPRISING R-IBUPROFEN 1998-04-09 WO disclosed
WO-1997048391-A2 METHODS AND COMPOSITIONS COMPRISING R-IBUPROFEN ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE (US) 1997-12-24 WO disclosed
EP-0667778-A1 TREATMENT OF MELANOMA WITH ANTISENSE OLIGONUCLEOTIDES TO C-MYB PROTO-ONCOGENE Temple University of the Commonwealth System of Higher Education (US) 1995-08-23 EP disclosed
WO-1993009789-A1 TREATMENT OF MELANOMA WITH ANTISENSE OLIGONUCLEOTIDES TO C-MYB PROTO-ONCOGENE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1993-05-27 WO disclosed