SCHEMBL9433701

SCHEMBL9433701

CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ncccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.64
RAB9A P51151 6/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 5/20 0.51
FBP1 P09467 2/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
LMNA P02545 4/20 0.46
NFE2L2 Q16236 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL9433707 1.00 GLO1 (0.64) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9433401 0.86 MAPT (0.64) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9434245 0.86 MAPT (0.64) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9434126 0.84 GLO1 (0.57) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9433937 0.83 GLO1 (0.56) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9433532 0.83 GLO1 (0.56) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9434206 0.83 GLO1 (0.56) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9434342 0.83 GLO1 (0.63) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9434339 0.83 GLO1 (0.63) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9433982 0.82 SMN1; SMN2 (0.61) GLO1RAB9AMAPTALDH1A1FBP1

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