SCHEMBL9433401

SCHEMBL9433401

CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
RAB9A P51151 6/20 0.64
ALDH1A1 P00352 6/20 0.64
GLO1 Q04760 2/20 0.60
SNCA P37840 1/20 0.55
POLB P06746 3/20 0.54
NPC1 O15118 5/20 0.54
HTT P42858 3/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
FBP1 P09467 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
MEN1 O00255 1/20 0.47
AGTR1 P30556 1/20 0.47

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
SCHEMBL9434245 1.00 MAPT (0.64) MAPTRAB9AALDH1A1GLO1SNCA
SCHEMBL9433640 0.86 RAB9A (0.62) MAPTRAB9AALDH1A1SNCANPC1
SCHEMBL9433771 0.86 RAB9A (0.62) MAPTRAB9AALDH1A1SNCANPC1
SCHEMBL9433701 0.86 GLO1 (0.64) MAPTRAB9AALDH1A1GLO1SNCA
SCHEMBL9433707 0.86 GLO1 (0.64) MAPTRAB9AALDH1A1GLO1SNCA
SCHEMBL9433972 0.86 SMN1; SMN2 (0.61) MAPTRAB9AALDH1A1GLO1POLB
SCHEMBL9433982 0.86 SMN1; SMN2 (0.61) MAPTRAB9AALDH1A1GLO1POLB
SCHEMBL9433715 0.84 GLO1 (0.59) MAPTRAB9AALDH1A1GLO1SNCA
SCHEMBL9433735 0.84 GLO1 (0.59) MAPTRAB9AALDH1A1GLO1SNCA
SCHEMBL9434279 0.83 GLO1 (0.64) MAPTRAB9AALDH1A1GLO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3002161-A None JP disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
JP-H032161-A 1,4-DIHYDROPYRIDINE DERIVATIVE FUJIREBIO INC 1991-01-08 JP disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed