SCHEMBL7340419

SCHEMBL7340419

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
BRD4 O60885 4/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNMA1 Q12791 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL8636243 0.91 BRD4 (0.49) TP53GAABRD4MEN1KMT2A
SCHEMBL7341146 0.89 BRD4 (0.49) TP53GAABRD4MEN1KMT2A
SCHEMBL7344583 0.87 TP53 (0.40) TP53GAABRD4MEN1KMT2A
SCHEMBL7342054 0.86 TP53 (0.44) TP53GAABRD4MEN1KMT2A
SCHEMBL7337480 0.84 TP53 (0.42) TP53GAABRD4MEN1KMT2A
SCHEMBL7345419 0.83 TP53 (0.44) TP53GAABRD4MAPTLMNA
SCHEMBL7344138 0.83 GAA (0.42) TP53GAABRD4MAPTLMNA
SCHEMBL7336189 0.82 ALDH1A1 (0.50) TP53GAABRD4MEN1KMT2A
SCHEMBL7337781 0.82 TP53 (0.47) TP53GAABRD4MEN1KMT2A
SCHEMBL7348078 0.82 BRPF1 (0.40) TP53GAABRD4MEN1KMT2A

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