SCHEMBL9433581

SCHEMBL9433581

CC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1nccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.54
MAPT P10636 10/20 0.45
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 4/20 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
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
NFE2L2 Q16236 1/20 0.41
RECQL P46063 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL9433591 1.00 GLO1 (0.54) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9434300 0.80 GLO1 (0.54) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9434299 0.80 GLO1 (0.54) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9433707 0.79 GLO1 (0.64) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9433701 0.79 GLO1 (0.64) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9433401 0.78 MAPT (0.64) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9434245 0.78 MAPT (0.64) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9434172 0.76 GLO1 (0.54) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9434178 0.76 GLO1 (0.54) GLO1MAPTALDH1A1RAB9ALMNA
SCHEMBL9433898 0.76 GLO1 (0.56) GLO1MAPTALDH1A1RAB9ALMNA

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