SCHEMBL6976033

SCHEMBL6976033

COc1cc(Br)c(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.65
MAPK1 P28482 2/20 0.46
MAPKAPK2 P49137 2/20 0.46
MAP2K1 Q02750 1/20 0.46
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
RAD52 P43351 3/20 0.41
UHRF1 Q96T88 1/20 0.41
SMARCA2 P51531 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE5A O76074 1/20 0.40

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
SCHEMBL6971357 0.89 ACHE (0.66) ACHEMAPK1MAPKAPK2MAP2K1LMNA
SCHEMBL6967849 0.89 ACHE (0.80) ACHEMAPK1MAPKAPK2MAP2K1LMNA
Hydrochloric Acid SCHEMBL7086728 0.89 ACHE (0.81) ACHEMAPK1MAPKAPK2MAP2K1LMNA
SCHEMBL6958645 0.87 ACHE (0.69) ACHEMAPK1MAPKAPK2MAP2K1LMNA
Hydrochloric Acid SCHEMBL6969005 0.87 ACHE (0.65) ACHEMAPK1MAPKAPK2MAP2K1LMNA
Hydrochloric Acid SCHEMBL6971323 0.87 ACHE (0.65) ACHEMAPK1MAPKAPK2MAP2K1LMNA
Hydrochloric Acid SCHEMBL6976088 0.87 ACHE (0.65) ACHEMAPK1MAPKAPK2MAP2K1LMNA
SCHEMBL6970669 0.86 ACHE (0.62) ACHEMAPK1MAPKAPK2MAP2K1LMNA
Hydrochloric Acid SCHEMBL6973476 0.86 ACHE (0.64) ACHEMAPK1MAPKAPK2MAP2K1LMNA
SCHEMBL6974374 0.86 ACHE (0.62) ACHEMAPK1MAPKAPK2MAP2K1LMNA

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