SCHEMBL194524

SCHEMBL194524

O=[C]c1cccc2c1ccc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.58
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
PAX8 Q06710 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 3/20 0.43
HIF1A Q16665 2/20 0.43
HPGD P15428 2/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL9004 0.87 CA1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29661877 0.83 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL22288269 0.83 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1227243 0.82 CA1 (0.38) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL1920365 0.79 HSD17B10 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1344272 0.79 CA1 (0.60) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2854731 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL3150495 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1933777 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30363731 0.79 CA1 (0.60) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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 443 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949678-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2005-09-27 US claimed
US-20050191567-A1 Oxime ester photoinitiators KUNIMOTO KAZUHIKO (JP) 2005-09-01 US claimed
US-20010012596-A1 For resist applications; thermostability, storage stability CIBA SPECIALTY CHEMICALS CORP. 2001-08-09 US claimed
EP-1020468-A2 Methods and intermediates for the asymmetric synthesis of camptothecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 2000-07-19 EP claimed
EP-0646117-A1 METHODS AND INTERMEDIATES FOR THE ASYMMETRIC SYNTHESIS OF CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS NORTH CAROLINA STATE UNIVERSITY (US) 1995-04-05 EP claimed
WO-1993025556-A1 METHODS AND INTERMEDIATES FOR THE ASYMMETRIC SYNTHESIS OF CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS NORTH CAROLINA STATE UNIVERSITY (US) 1993-12-23 WO claimed
US-5212317-A Methods and intermediates for the assymmetric synthesis of camptothecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 1993-05-18 US claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP claimed
EP-4329749-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
EP-3871673-B1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2024-01-03 EP disclosed
WO-2023202604-A1 ANTIVIRAL NUCLEOSIDE ANALOGUE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-10-26 WO disclosed
CN-116813979-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-09-29 CN disclosed
US-11702557-B2 Ink composition for manufacturing organic semiconductor device DAICEL CORPORATION (JP) 2023-07-18 US disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed