SCHEMBL9434178

SCHEMBL9434178

CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.54
ALDH1A1 P00352 5/20 0.49
MAPT P10636 6/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
MGAM O43451 1/20 0.44
FBP1 P09467 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MITF O75030 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
MDM2 Q00987 1/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL9434172 1.00 GLO1 (0.54) GLO1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9433898 0.84 GLO1 (0.56) GLO1ALDH1A1MAPTLMNAFBP1
SCHEMBL9434470 0.80 ALDH1A1 (0.59) GLO1ALDH1A1MAPTLMNAFBP1
SCHEMBL9434385 0.79 GLO1 (0.61) GLO1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9434390 0.79 GLO1 (0.61) GLO1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9434339 0.78 GLO1 (0.63) GLO1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9434342 0.78 GLO1 (0.63) GLO1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9433707 0.77 GLO1 (0.64) GLO1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9433701 0.77 GLO1 (0.64) GLO1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9434299 0.76 GLO1 (0.54) GLO1ALDH1A1MAPTLMNACYP1A2

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed