SCHEMBL9831945

SCHEMBL9831945

Cc1sc(-c2ccco2)nc1N

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.54
ADORA2A P29274 15/20 0.54
ADORA1 P30542 15/20 0.54
ALDH1A1 P00352 2/20 0.53
ADORA2B P29275 8/20 0.47
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
BLM P54132 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL9629549 0.79 KDM4E (0.46) ALDH1A1KDM4E
SCHEMBL9823766 0.74 TDP1 (0.46) ADORA3ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL9313310 0.74 ADORA3 (0.58) ADORA3ADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL1256690 0.72 MAPT (0.68) ADORA2AADORA1ALDH1A1MAPTHSD17B10
SCHEMBL9829889 0.71 MAPT (0.58) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL22493221 0.71 ADORA2A (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL11392444 0.71 ADORA3 (0.56) ADORA3ADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL18873089 0.70 ADORA3 (0.48) ADORA3ADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL570555 0.69 ALDH1A1 (1.00) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL10054150 0.69 KDM4E (0.64) ALDH1A1HSD17B10MEN1POLBKMT2A

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