SCHEMBL7370432

SCHEMBL7370432

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
BRD4 O60885 4/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR6 P46095 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KCNMA1 Q12791 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
SCHEMBL7337781 0.90 TP53 (0.47) BRD4TP53GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7339559 0.89 TP53 (0.46) BRD4TP53GAAMEN1KMT2A
SCHEMBL7341182 0.89 BRD4 (0.41) BRD4TP53GAAMEN1KMT2A
SCHEMBL7340695 0.89 BRD4 (0.37) BRD4TP53GAAMEN1KMT2A
SCHEMBL7343921 0.88 CYP19A1 (0.40) CYP19A1BRD4TP53GAAMEN1
SCHEMBL7337957 0.88 TP53 (0.46) BRD4TP53GAAMEN1KMT2A
SCHEMBL7337409 0.88 TP53 (0.47) BRD4TP53GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7337694 0.88 TP53 (0.45) BRD4TP53GAAMEN1KMT2A
SCHEMBL7339444 0.87 TP53 (0.41) BRD4TP53GAAMEN1KMT2A
SCHEMBL7335839 0.87 BRD4 (0.39) BRD4TP53GAAMEN1KMT2A

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed