SCHEMBL7344138

SCHEMBL7344138

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccccc2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
BRD4 O60885 7/20 0.41
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7780810 0.95 TP53 (0.42) GAATP53BRD4HTTLMNA
SCHEMBL7346417 0.94 TP53 (0.42) GAATP53BRD4HTTLMNA
SCHEMBL7343921 0.93 CYP19A1 (0.40) GAATP53BRD4HTTHSP90AA1
SCHEMBL7346770 0.93 ATM (0.38) GAATP53BRD4ALDH1A1LMNA
SCHEMBL7337787 0.92 ALDH1A1 (0.41) GAATP53HTTALDH1A1LMNA
SCHEMBL7348561 0.91 TP53 (0.39) GAATP53HTTALDH1A1LMNA
SCHEMBL7345152 0.91 ATM (0.42) GAATP53BRD4ALDH1A1LMNA
SCHEMBL7336388 0.91 TP53 (0.39) GAATP53BRD4HTTLMNA
SCHEMBL7345297 0.91 MAPT (0.40) GAATP53BRD4HTTLMNA
SCHEMBL7348212 0.91 IRAK4 (0.39) GAATP53BRD4HTTLMNA

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 4 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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed