SCHEMBL7344741

SCHEMBL7344741

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(-c3nccs3)cc2)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT1 Q99873 1/20 0.39
BRD4 O60885 3/20 0.39
TP53 P04637 3/20 0.38
GAA P10253 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GRM4 Q14833 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7341182 0.91 BRD4 (0.41) BRD4TP53GAAHDAC1SMN1; SMN2
SCHEMBL7339444 0.90 TP53 (0.41) MAPK14SMOBRD4TP53GAA
SCHEMBL7347145 0.89 MAPK14 (0.38) MAPK14SMOCARM1PRMT1BRD4
Hydrochloric Acid SCHEMBL7341829 0.89 TP53 (0.40) MAPK14SMOBRD4TP53GAA
SCHEMBL7335839 0.88 BRD4 (0.39) BRD4TP53GAAHDAC1KDM4E
SCHEMBL7337781 0.87 TP53 (0.47) BRD4TP53GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7339559 0.86 TP53 (0.46) BRD4TP53GAASMN1; SMN2MEN1
SCHEMBL7370432 0.86 CYP19A1 (0.43) BRD4TP53GAAKDM4EMEN1
SCHEMBL7342707 0.86 BRD4 (0.38) BRD4TP53GAAHDAC1SMN1; SMN2
SCHEMBL7337957 0.85 TP53 (0.46) BRD4TP53GAASMN1; SMN2MEN1

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