SCHEMBL7759112

SCHEMBL7759112

OC(=S)Cc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYSLTR1 Q9Y271 4/20 0.51
CYSLTR2 Q9NS75 2/20 0.51
GPBAR1 Q8TDU6 3/20 0.45
MGAM O43451 1/20 0.44
MEN1 O00255 4/20 0.43
GAA P10253 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
ADORA2A P29274 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
SCHEMBL11639836 0.83 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2GPBAR1MEN1
Hydrochloric Acid SCHEMBL3498851 0.81 CYP1A2 (0.53) CYP1A2CYSLTR1CYSLTR2GPBAR1MEN1
SCHEMBL140815 0.81 CYP1A2 (0.65) CYP1A2CYSLTR1CYSLTR2GPBAR1MGAM
SCHEMBL728064 0.79 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2MEN1GAA
SCHEMBL11641036 0.79 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2MEN1GAA
SCHEMBL14805320 0.78 CYP1A2 (0.67) CYP1A2CYSLTR1CYSLTR2GPBAR1MGAM
SCHEMBL9480225 0.78 CYP1A2 (0.62) CYP1A2CYSLTR1CYSLTR2MEN1GAA
SCHEMBL1163526 0.78 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2GPBAR1MEN1
SCHEMBL28635312 0.78 CYP1A2 (0.61) CYP1A2CYSLTR1CYSLTR2GPBAR1MGAM
SCHEMBL29775305 0.78 CYP1A2 (0.53) CYP1A2CYSLTR1CYSLTR2GPBAR1MGAM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7002781-A None JP disclosed
US-6207833-B1 REACTING 2-CHLOROQUINOLINE WITH MERCAPTOACETIC ACID LOBA FEINCHEMIE AG (AU) 2001-03-27 US disclosed
JP-2001031653-A PRODUCTION OF 2-QUINOLINYLTHIOACETIC ACID OR ITS HYDROCHLORIDE LOBA FEINCHEMIE AG 2001-02-06 JP disclosed
EP-1063233-A1 Process for the preparation of 2-quinolinylthio-acetic acid and its hydrochloride LOBA FEINCHEMIE AKTIENGESELLSCHAFT (AT) 2000-12-27 EP disclosed
EP-1063233-A1 Process for the preparation of 2-quinolinylthio-acetic acid and its hydrochloride LOBA FEINCHEMIE AKTIENGESELLSCHAFT (AT) 2000-12-27 EP disclosed
EP-0631176-B1 Photothermographic materials EASTMAN KODAK CO (US) 2000-12-13 EP disclosed
US-5594143-A IMAGE STABILIZERS, ANTIFOGGING AGENTS IMATION CORP. (US) 1997-01-14 US disclosed
US-5460938-A Containing a halogenated, sulfone-containing quinoline compound as antifogging agent MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-10-24 US disclosed
JP-H072781-A PHOTOTHERMOGRAPHIC MATERIAL MINNESOTA MINING & MFG CO <3M> 1995-01-06 JP disclosed
EP-0631176-A1 Photothermographic materials MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-12-28 EP disclosed