SCHEMBL9433715

SCHEMBL9433715

CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cccnn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.59
ALDH1A1 P00352 7/20 0.48
MAPT P10636 6/20 0.48
RAB9A P51151 4/20 0.48
FBP1 P09467 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
TGM2 P21980 1/20 0.44
LMNA P02545 5/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 3/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
XBP1 P17861 2/20 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
SCHEMBL9433735 1.00 GLO1 (0.59) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9434245 0.84 MAPT (0.64) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9433401 0.84 MAPT (0.64) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9434279 0.82 GLO1 (0.64) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9434284 0.82 GLO1 (0.64) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9433752 0.81 GLO1 (0.59) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9433746 0.81 GLO1 (0.59) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9433701 0.80 GLO1 (0.64) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9433707 0.80 GLO1 (0.64) GLO1ALDH1A1MAPTRAB9AFBP1
SCHEMBL9433982 0.80 SMN1; SMN2 (0.61) GLO1ALDH1A1MAPTRAB9AFBP1

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