SCHEMBL9830869

SCHEMBL9830869

COc1cccc(-c2nc(NC(=O)c3nnn[nH]3)cs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.54
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 2/20 0.50
ALDH1A1 P00352 4/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HDAC1 Q13547 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
HSD17B10 Q99714 4/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL9831900 0.89 CYP1A1 (0.45) ROCK1CDK5CDK5R1CCNA2CDK2
SCHEMBL9831158 0.87 CDC25A (0.49) ROCK1CDK5CDK5R1ALDH1A1CCNA2
SCHEMBL9832511 0.86 CDK5 (0.55) ROCK1CDK5CDK5R1ALDH1A1CCNA2
SCHEMBL9830880 0.83 CDK5 (0.52) ROCK1CDK5CDK5R1ALDH1A1CCNA2
SCHEMBL9830542 0.82 ALDH1A1 (0.66) ROCK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9829547 0.82 SMN1; SMN2 (0.48) ROCK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9830862 0.81 ALDH1A1 (0.54) CDK5CDK5R1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9831306 0.81 MAPT (0.49) ROCK1ALDH1A1RAB9ASMN1; SMN2HDAC1
Monoethanolamine SCHEMBL9830948 0.81 CDC25A (0.44) ROCK1CDK5CDK5R1ALDH1A1CCNA2
SCHEMBL9823455 0.80 IRAK4 (0.59) ROCK1ALDH1A1KDM4ENPC1RAB9A

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