SCHEMBL7366621

SCHEMBL7366621

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccccc2)ccc1NC(=O)c1ccccc1OC(C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 8/20 0.39
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNMA1 Q12791 1/20 0.35
MTTP P55157 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL7338015 0.90 KCNMA1 (0.42) TP53GAABRD4LMNAMAPT
SCHEMBL7344138 0.89 GAA (0.42) TP53GAABRD4LMNAMAPT
SCHEMBL7342054 0.88 TP53 (0.44) TP53GAABRD4LMNAMAPT
SCHEMBL7347095 0.87 MEN1 (0.36) TP53GAALMNAMAPTHTT
SCHEMBL7780810 0.84 TP53 (0.42) TP53GAABRD4LMNAMAPT
SCHEMBL7337090 0.84 AVPR2 (0.37)
SCHEMBL7348078 0.84 BRPF1 (0.40) TP53GAABRD4HTTMTTP
SCHEMBL7343921 0.83 CYP19A1 (0.40) TP53GAABRD4MAPTHTT
SCHEMBL7346770 0.83 ATM (0.38) TP53GAABRD4LMNAKDM4E
SCHEMBL7346417 0.83 TP53 (0.42) TP53GAABRD4LMNAMAPT

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