SCHEMBL9434339

SCHEMBL9434339

CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.63
MAPT P10636 5/20 0.57
NPSR1 Q6W5P4 3/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 5/20 0.50
FBP1 P09467 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TGM2 P21980 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 2/20 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
SCHEMBL9434342 1.00 GLO1 (0.63) GLO1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL1849347 0.86 MAPT (0.54) GLO1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL1976364 0.86 MAPT (0.54) GLO1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL9434385 0.86 GLO1 (0.61) GLO1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL9434390 0.86 GLO1 (0.61) GLO1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL9434829 0.84 L3MBTL1 (0.56) MAPTKMT2ASMN1; SMN2LMNAFBP1
SCHEMBL9434826 0.84 L3MBTL1 (0.56) MAPTKMT2ASMN1; SMN2LMNAFBP1
SCHEMBL9433701 0.83 GLO1 (0.64) GLO1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL9433707 0.83 GLO1 (0.64) GLO1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL9433982 0.81 SMN1; SMN2 (0.61) GLO1MAPTKMT2ASMN1; SMN2LMNA

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