SCHEMBL4587159

SCHEMBL4587159

c1ccc(-c2csnc2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ALOX15 P16050 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
TTK P33981 1/20 0.38
MAPK10 P53779 1/20 0.38
NOTUM Q6P988 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TDO2 P48775 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL12854132 0.89 CYP11B1 (0.41) CYP11B1CYP11B2ALOX15ALDH1A1HPGD
SCHEMBL10166454 0.76 CYP2A6 (0.47) CYP11B1CYP11B2ALOX15CYP2A6CYP2B6
SCHEMBL28013350 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALOX15ALDH1A1HPGD
SCHEMBL3403280 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALOX15ALDH1A1HPGD
SCHEMBL27304439 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALOX15ALDH1A1HPGD
SCHEMBL28020956 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALOX15ALDH1A1HPGD
SCHEMBL6739617 0.76 ALDH1A1 (0.42) CYP11B1CYP11B2ALOX15ALDH1A1HPGD
SCHEMBL10166456 0.76 CYP11B1 (0.46) CYP11B1CYP11B2ALOX15CYP2A6CYP2B6
SCHEMBL28957794 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALOX15ALDH1A1HPGD
SCHEMBL27862904 0.76 ALDH1A1 (0.42) CYP11B1CYP11B2ALOX15CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed