SCHEMBL9433982

SCHEMBL9433982

CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1cnccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
GLO1 Q04760 2/20 0.57
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
POLB P06746 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
RXFP1 Q9HBX9 2/20 0.52
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
AGTR1 P30556 1/20 0.50
TGM2 P21980 1/20 0.48
KDM4E B2RXH2 1/20 0.47
FBP1 P09467 1/20 0.46
LMNA P02545 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 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
SCHEMBL9433972 1.00 SMN1; SMN2 (0.61) SMN1; SMN2GLO1ALDH1A1MAPTPOLB
SCHEMBL9433401 0.86 MAPT (0.64) SMN1; SMN2GLO1ALDH1A1MAPTPOLB
SCHEMBL9434245 0.86 MAPT (0.64) SMN1; SMN2GLO1ALDH1A1MAPTPOLB
SCHEMBL9433701 0.82 GLO1 (0.64) SMN1; SMN2GLO1ALDH1A1MAPTPOLB
SCHEMBL9433707 0.82 GLO1 (0.64) SMN1; SMN2GLO1ALDH1A1MAPTPOLB
SCHEMBL9434342 0.81 GLO1 (0.63) SMN1; SMN2GLO1ALDH1A1MAPTRAB9A
SCHEMBL9434339 0.81 GLO1 (0.63) SMN1; SMN2GLO1ALDH1A1MAPTRAB9A
SCHEMBL9433879 0.81 GLO1 (0.60) SMN1; SMN2GLO1ALDH1A1MAPTRAB9A
SCHEMBL9433898 0.81 GLO1 (0.56) SMN1; SMN2GLO1ALDH1A1MAPTRAB9A
SCHEMBL9433885 0.81 GLO1 (0.60) SMN1; SMN2GLO1ALDH1A1MAPTRAB9A

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