SCHEMBL9830397

SCHEMBL9830397

O=C(Nc1csc(-c2ccccc2O)n1)c1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.45
CDK5 Q00535 5/20 0.38
CDK5R1 Q15078 5/20 0.38
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
GSTO1 P78417 1/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 2/20 0.37
PIM1 P11309 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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 0.87 ALDH1A1 (0.40) CDK5CDK5R1RAB9ASMN1; SMN2CCNA2
SCHEMBL9832310 0.86 MAPT (0.40) CDK5CDK5R1RAB9ASMN1; SMN2CCNA2
SCHEMBL9830880 0.85 CDK5 (0.52) CDK5CDK5R1RAB9ASMN1; SMN2CCNA2
SCHEMBL9832086 0.84 KDM4E (0.48) CDK5CDK5R1RAB9ASMN1; SMN2CCNA2
SCHEMBL9833230 0.83 DDX3X (0.47) RAB9ANPC1GAA
SCHEMBL9831082 0.81 CCNA2 (0.49) CDK5CDK5R1RAB9ACASP3SMN1; SMN2
SCHEMBL9830272 0.80 SGMS2 (0.43) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9831310 0.79 RAB9A (0.40) CDK5CDK5R1RAB9ACASP3SMN1; SMN2
SCHEMBL9829838 0.79 RAB9A (0.49) CDK5CDK5R1RAB9ASMN1; SMN2CCNA2
SCHEMBL9829473 0.79 KDM4E (0.42) RAB9ASMN1; SMN2MAPTPIM1KDM4E

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