SCHEMBL9434385

SCHEMBL9434385

CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cncnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.61
TGM2 P21980 1/20 0.51
FBP1 P09467 1/20 0.49
MAPT P10636 8/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
NPC1 O15118 2/20 0.48
PKM P14618 2/20 0.48
HPGD P15428 2/20 0.48
XBP1 P17861 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
TP53 P04637 1/20 0.48
S1PR1 P21453 1/20 0.48
AGTR1 P30556 1/20 0.48
RAB27A P51159 1/20 0.48
PAX8 Q06710 1/20 0.48

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
SCHEMBL9434390 1.00 GLO1 (0.61) GLO1TGM2FBP1MAPTLMNA
SCHEMBL9434342 0.86 GLO1 (0.63) GLO1TGM2FBP1MAPTLMNA
SCHEMBL9434339 0.86 GLO1 (0.63) GLO1TGM2FBP1MAPTLMNA
SCHEMBL9433982 0.80 SMN1; SMN2 (0.61) GLO1TGM2FBP1MAPTLMNA
SCHEMBL9433972 0.80 SMN1; SMN2 (0.61) GLO1TGM2FBP1MAPTLMNA
SCHEMBL9433701 0.80 GLO1 (0.64) GLO1FBP1MAPTLMNASMN1; SMN2
SCHEMBL9433707 0.80 GLO1 (0.64) GLO1FBP1MAPTLMNASMN1; SMN2
SCHEMBL9434178 0.79 GLO1 (0.54) GLO1FBP1MAPTLMNANPC1
SCHEMBL9434172 0.79 GLO1 (0.54) GLO1FBP1MAPTLMNANPC1
SCHEMBL8028846 0.77 GLO1 (1.00) GLO1FBP1MAPTLMNASMN1; SMN2

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