SCHEMBL9832086

SCHEMBL9832086

COc1ccccc1-c1nc(NC(=O)c2nnn[nH]2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HSD17B10 Q99714 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
AHR P35869 1/20 0.46
TSHR P16473 1/20 0.43
SHMT2 P34897 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL9831314 0.85 ALDH1A1 (0.40) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9830272 0.84 SGMS2 (0.43) GAACCNA2CDK2CCNA1CDK5
SCHEMBL9830397 0.84 HTR2B (0.45) KDM4ERAB9ANPC1HSD17B10SMN1; SMN2
SCHEMBL9830897 0.83 MAPT (0.56) KDM4ENPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL9832310 0.82 MAPT (0.40) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9831306 0.81 MAPT (0.49) RAB9ASMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL9830880 0.81 CDK5 (0.52) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9831158 0.81 CDC25A (0.49) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9830869 0.80 ROCK1 (0.54) KDM4ERAB9ANPC1HSD17B10SMN1; SMN2
SCHEMBL9823416 0.79 IRAK4 (0.51) KDM4ERAB9ANPC1HSD17B10SMN1; SMN2

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-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed