SCHEMBL1165033

SCHEMBL1165033

N#Cc1c(Br)sc(-c2cccs2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA1 P30542 7/20 0.42
ADORA2A P29274 5/20 0.42
ADORA2B P29275 2/20 0.42
PIM1 P11309 2/20 0.41
KDM4E B2RXH2 8/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
PRNP P04156 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL12878267 0.87 MAPT (0.49) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL12878322 0.85 MAPT (0.51) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL12878678 0.77 DPP4 (0.46) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL29783022 0.71 PGR (0.38) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL12878295 0.71 KDM4E (0.42) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL4585406 0.71 MEN1 (0.41) MAPTPOLBALOX15HSD17B10KDM4E
SCHEMBL1164670 0.70 MAPT (0.44) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL1164652 0.69 ALDH1A1 (0.42) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL12878365 0.69 HSD17B10 (0.39) MAPTPOLBALOX15HSD17B10ADORA1
SCHEMBL4613680 0.69 MEN1 (0.40) MAPTPOLBALOX15HSD17B10KDM4E

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
WO-2011020712-A2 OLIGOTHIOPHENES DERIVATIVES UNIVERSITE LIBRE DE BRUXELLES (BE) 2011-02-24 WO disclosed
WO-2011020712-A2 OLIGOTHIOPHENES DERIVATIVES UNIVERSITE LIBRE DE BRUXELLES (BE) 2011-02-24 WO disclosed