SCHEMBL7900646

SCHEMBL7900646

COC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
MAOA P21397 1/20 0.55
CYP19A1 P11511 1/20 0.55
MAPT P10636 7/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
PPIA P62937 1/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL15942070 0.91 CYP19A1 (0.65) MAOBMAOACYP19A1MAPTMEN1
SCHEMBL7907924 0.88 CTSV (0.58) MAOBMAOACYP19A1MAPTMEN1
SCHEMBL3962253 0.88 MAOB (0.61) MAOBMEN1KMT2AKDM4ELMNA
SCHEMBL7914592 0.86 MAOB (0.57) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL7907439 0.86 MAOB (0.56) MAOBKDM4EPOLBALDH1A1
SCHEMBL7910894 0.83 FFAR4 (0.65) MAOBMAOAMAPTKMT2ALMNA
SCHEMBL7910948 0.83 MAOB (0.57) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL6567396 0.83 MEN1 (0.64) CYP19A1MAPTMEN1KMT2ACTSV
SCHEMBL7911112 0.83 MAOB (0.57) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL6361504 0.83 MEN1 (0.56) MAOBMAOAMAPTMEN1KMT2A

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
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed