SCHEMBL7907924

SCHEMBL7907924

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.58
CTSL P07711 3/20 0.58
MAOB P27338 3/20 0.56
PLA2G4B P0C869 1/20 0.56
MAOA P21397 1/20 0.56
MAPT P10636 3/20 0.54
CYP19A1 P11511 1/20 0.53
PPIA P62937 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
XBP1 P17861 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL1647948 0.90 CYP19A1 (0.64) CTSVCTSLMAPTCYP19A1PPIA
SCHEMBL7900646 0.88 MAOB (0.55) CTSVCTSLMAOBMAOAMAPT
SCHEMBL4756552 0.87 MAOB (0.63) CTSVCTSLMAOBMEN1KMT2A
SCHEMBL6665583 0.82 MAOB (0.55) CTSVCTSLMAOBMAPTMEN1
SCHEMBL7908630 0.82 NR4A2 (0.60) CTSVCTSLMAOBMAOAMAPT
SCHEMBL7907913 0.82 NR4A2 (0.60) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL1319458 0.82 CTSV (0.63) CTSVCTSLMAPTCYP19A1PPIA
SCHEMBL7908820 0.82 NR4A2 (0.60) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL7900610 0.82 RAB9A (0.58) MAOBPLA2G4BSMN1; SMN2
SCHEMBL21924233 0.81 MAOB (0.60) CTSVCTSLMAOBMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
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