SCHEMBL8736393

SCHEMBL8736393

O=Cc1cc(-c2ccccn2)cc(-c2cccc([N+](=O)[O-])c2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
GRM5 P41594 2/20 0.49
PDE4D Q08499 3/20 0.44
PDE4A P27815 3/20 0.44
PDE4C Q08493 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
TOP1 P11387 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PELI1 Q96FA3 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PRKCA P17252 1/20 0.41
KDM4E B2RXH2 2/20 0.41
METAP1 P53582 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7941640 0.88 MAPT (0.47) ERN1NPC1RAB9AMAPTGRM5
SCHEMBL29496951 0.79 NPC1 (0.67) NPC1RAB9AMAPTGRM5PDE4D
SCHEMBL29496950 0.79 NPC1 (0.67) NPC1RAB9AMAPTGRM5PDE4D
SCHEMBL2643483 0.79 NPC1 (0.67) NPC1RAB9AMAPTGRM5PDE4D
SCHEMBL5734991 0.77 ERN1 (0.54) ERN1MAPTALDH1A1PELI1KDM4E
SCHEMBL7359628 0.76 PDE4A (0.47) ERN1MAPTPDE4AALDH1A1PELI1
SCHEMBL7350348 0.76 PDE4B (0.61) NPC1RAB9AMAPTPDE4DPDE4A
SCHEMBL18605359 0.75 MAPT (0.52) ERN1NPC1RAB9AMAPTALDH1A1
SCHEMBL7231457 0.73 PDE4D (0.61) NPC1RAB9AMAPTPDE4DPDE4A
SCHEMBL7137309 0.73 ERN1 (0.52) ERN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10114724-A None JP disclosed
JP-H10114724-A NEW SUBSTITUTED BIPHENYL OR PHENYLPYRIDINE COMPOUND, ITS PRODUCTION AND MEDICINAL COMPOSITION CONTAINING THE SAME ADIR 1998-05-06 JP disclosed