SCHEMBL6975265

SCHEMBL6975265

COc1ccc(C(=O)Nc2nc(C(=O)N3CCN(C)CC3)cs2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HSD17B10 Q99714 1/20 0.62
MAPK1 P28482 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 3/20 0.54
GAA P10253 3/20 0.53
ATM Q13315 1/20 0.53
NPC1 O15118 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 4/20 0.50
USP2 O75604 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
KDM4E B2RXH2 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
Hydrochloric Acid SCHEMBL6974987 0.83 LMNA (0.59) LMNANPSR1HSD17B10MAPK1SMN1; SMN2
SCHEMBL23742049 0.78 ALDH1A1 (0.50) LMNAHSD17B10MAPK1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL6969439 0.77 LMNA (0.59) LMNANPSR1HSD17B10MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6970908 0.77 LMNA (0.59) LMNANPSR1HSD17B10MAPK1SMN1; SMN2
SCHEMBL6968584 0.77 LMNA (1.00) LMNANPSR1HSD17B10MAPK1SMN1; SMN2
SCHEMBL16134867 0.76 POLB (0.70) LMNAMAPK1SMN1; SMN2GAAATM
SCHEMBL6967900 0.75 NPSR1 (0.56) LMNANPSR1HSD17B10MAPK1SMN1; SMN2
SCHEMBL18456530 0.75 MAPT (0.84) LMNANPSR1MAPK1SMN1; SMN2RAB9A
Fumaric Acid SCHEMBL6960310 0.74 LMNA (0.55) LMNANPSR1HSD17B10MAPK1SMN1; SMN2
SCHEMBL6974802 0.74 NPSR1 (0.55) LMNANPSR1HSD17B10MAPK1SMN1; 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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed