SCHEMBL7337128

SCHEMBL7337128

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C3=NCCO3)cc2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
BRD4 O60885 2/20 0.34
ATM Q13315 1/20 0.33
AKR1C3 P42330 1/20 0.33
ALDH1A1 P00352 2/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32

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 0.90 ATM (0.38) TP53GAABRD4ATMALDH1A1
SCHEMBL7344138 0.89 GAA (0.42) TP53GAABRD4ALDH1A1HPGD
SCHEMBL7373035 0.89 ATM (0.35) TP53GAABRD4ATMAKR1C3
SCHEMBL7345152 0.88 ATM (0.42) TP53GAABRD4ATMALDH1A1
SCHEMBL7347145 0.87 MAPK14 (0.38) TP53GAABRD4ATMALDH1A1
SCHEMBL7780810 0.87 TP53 (0.42) TP53GAABRD4ATMLMNA
SCHEMBL7343921 0.86 CYP19A1 (0.40) TP53GAABRD4ATMKDM4E
SCHEMBL7344583 0.86 TP53 (0.40) TP53GAABRD4AKR1C3ALDH1A1
SCHEMBL7346417 0.86 TP53 (0.42) TP53GAABRD4ATMLMNA
SCHEMBL7342333 0.85 MEN1 (0.40) TP53GAABRD4ALDH1A1KDM4E

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