SCHEMBL11456658

SCHEMBL11456658

c1ccc(-c2nc(-c3ccncc3)sc2-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.67
DBF4 Q9UBU7 8/20 0.67
CCNE1 P24864 1/20 0.63
CDK2 P24941 1/20 0.63
IDO1 P14902 1/20 0.58
TDO2 P48775 1/20 0.58
PTGS2 P35354 2/20 0.55
MAPK14 Q16539 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50

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
SCHEMBL6282345 0.91 PTGS2 (0.68) CDC7DBF4CCNE1CDK2PTGS2
SCHEMBL9768642 0.91 ALDH1A1 (0.62) CDC7DBF4CCNE1CDK2PTGS2
SCHEMBL7844433 0.85 PTGS2 (0.80) CDC7DBF4CCNE1CDK2PTGS2
SCHEMBL11466268 0.83 ALOX5 (0.69) CDC7DBF4PTGS2ALDH1A1CYP1A2
SCHEMBL21670773 0.82 PTGS2 (0.56) CDC7DBF4PTGS2MAPK14ALDH1A1
SCHEMBL513703 0.82 AKT1 (0.54) CDC7DBF4CCNE1CDK2
SCHEMBL16011062 0.81 ALOX5 (0.50) CDC7DBF4CCNE1CDK2PTGS2
SCHEMBL11287147 0.81 PTGS2 (0.74) PTGS2ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL11460695 0.81 KDM4E (0.58) PTGS2ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL544858 0.81 CDC7 (0.61) CDC7DBF4CCNE1CDK2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4197306-A CONTROL OF INSECTS AND ACARIDS UNIROYAL, INC. (US) 1980-04-08 US disclosed
US-4153703-A Method of controlling insects and acarids with certain aryl-substituted thiazoles UNIROYAL, INC. (US) 1979-05-08 US disclosed