SCHEMBL9830880

SCHEMBL9830880

O=C(Nc1csc(-c2ccccc2)n1)c1nnn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.52
CDK5R1 Q15078 5/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CCNA1 P78396 2/20 0.52
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 5/20 0.47
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL9829838 0.89 RAB9A (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9829826 0.88 RAB9A (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9830713 0.87 HDAC6 (0.52) MAPTATMHDAC6TLR7GAA
SCHEMBL9830487 0.86 RAB9A (0.48) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9832511 0.86 CDK5 (0.55) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9830397 0.85 HTR2B (0.45) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9831158 0.84 CDC25A (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9830585 0.84 RAB9A (0.40) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9830549 0.84 TP53 (0.45) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9831314 0.84 ALDH1A1 (0.40) CDK5CDK5R1CCNA2CDK2CCNA1

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