SCHEMBL7347145

SCHEMBL7347145

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(-c3nccs3)cc2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
S1PR1 P21453 1/20 0.36
ATM Q13315 2/20 0.35
TP53 P04637 3/20 0.35
GRM4 Q14833 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
BRD4 O60885 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT1 Q99873 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7346770 0.92 ATM (0.38) ATMTP53GAABRD4KDM4E
SCHEMBL7345152 0.91 ATM (0.42) MAPK14SMOATMTP53GAA
SCHEMBL7344138 0.90 GAA (0.42) TP53SMN1; SMN2GAABRD4ALDH1A1
SCHEMBL7344741 0.89 MAPK14 (0.39) MAPK14SMOS1PR1TP53GRM4
SCHEMBL7373035 0.89 ATM (0.35) ATMTP53GAABRD4ALDH1A1
SCHEMBL7780810 0.88 TP53 (0.42) ATMTP53SMN1; SMN2GAABRD4
SCHEMBL7343921 0.87 CYP19A1 (0.40) ATMTP53GAABRD4KDM4E
SCHEMBL7337128 0.87 TP53 (0.34) ATMTP53GAABRD4KDM4E
SCHEMBL7346417 0.87 TP53 (0.42) ATMTP53SMN1; SMN2GAABRD4
SCHEMBL7345312 0.85 MAPT (0.38) ATMTP53SMN1; SMN2GAARXFP1

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