SCHEMBL6970114

SCHEMBL6970114

COc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCN(C3CCCCC3)C3CCCCC3)cs2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
AVPR1B P47901 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAP2K1 Q02750 1/20 0.38
GRM5 P41594 1/20 0.38
PDE5A O76074 1/20 0.37

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
SCHEMBL6975573 0.84 ACHE (0.67) ACHEALDH1A1LMNANPSR1HSD17B10
SCHEMBL6976204 0.82 ACHE (0.65) ACHEALDH1A1LMNANPSR1HSD17B10
SCHEMBL6975141 0.82 ACHE (0.57) ACHEALDH1A1LMNANPSR1HSD17B10
SCHEMBL28440118 0.82 ACHE (0.85) ACHEALDH1A1LMNANPSR1HSD17B10
SCHEMBL6958811 0.81 ACHE (0.64) ACHEALDH1A1LMNANPSR1HSD17B10
Hydrochloric Acid SCHEMBL6968789 0.81 ACHE (0.65) ACHEALDH1A1LMNANPSR1HSD17B10
SCHEMBL6970981 0.81 ACHE (0.75) ACHEALDH1A1LMNANPSR1HSD17B10
SCHEMBL6964266 0.80 ACHE (0.70) ACHEALDH1A1LMNANPSR1HSD17B10
SCHEMBL6975943 0.80 ACHE (0.64) ACHEALDH1A1LMNANPSR1HSD17B10
Hydrochloric Acid SCHEMBL6971284 0.80 ACHE (0.68) ACHEALDH1A1LMNANPSR1HSD17B10

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