SCHEMBL9434299

SCHEMBL9434299

CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.54
MAPT P10636 6/20 0.48
ALDH1A1 P00352 6/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 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
LMNA P02545 3/20 0.43
MITF O75030 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
MDM2 Q00987 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9434300 1.00 GLO1 (0.54) GLO1MAPTALDH1A1RECQLRAB9A
SCHEMBL9433581 0.80 GLO1 (0.54) GLO1MAPTALDH1A1RECQLRAB9A
SCHEMBL9433591 0.80 GLO1 (0.54) GLO1MAPTALDH1A1RECQLRAB9A
SCHEMBL9433701 0.79 GLO1 (0.64) GLO1MAPTALDH1A1RAB9ANPC1
SCHEMBL9433707 0.79 GLO1 (0.64) GLO1MAPTALDH1A1RAB9ANPC1
SCHEMBL9434126 0.79 GLO1 (0.57) GLO1MAPTALDH1A1RAB9ANPC1
SCHEMBL9433401 0.78 MAPT (0.64) GLO1MAPTALDH1A1RAB9ANPC1
SCHEMBL9434245 0.78 MAPT (0.64) GLO1MAPTALDH1A1RAB9ANPC1
SCHEMBL9433898 0.78 GLO1 (0.56) GLO1MAPTALDH1A1RECQLRAB9A
SCHEMBL9433937 0.78 GLO1 (0.56) GLO1MAPTALDH1A1RAB9ANPC1

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