SCHEMBL9433640

SCHEMBL9433640

CC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
MAPT P10636 7/20 0.62
NPC1 O15118 5/20 0.62
HTT P42858 4/20 0.62
MAPK1 P28482 1/20 0.62
SNCA P37840 1/20 0.53
KDR P35968 2/20 0.49
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL9433771 1.00 RAB9A (0.62) RAB9AMAPTNPC1HTTMAPK1
SCHEMBL9433401 0.86 MAPT (0.64) RAB9AMAPTNPC1HTTMAPK1
SCHEMBL9434245 0.86 MAPT (0.64) RAB9AMAPTNPC1HTTMAPK1
SCHEMBL9433499 0.82 ALDH1A1 (0.50) RAB9AMAPTNPC1HTTMAPK1
SCHEMBL9433818 0.82 EGFR (0.55) RAB9AMAPTNPC1HTTMAPK1
SCHEMBL9434011 0.81 ALDH1A1 (0.49) RAB9AMAPTNPC1HTTMAPK1
SCHEMBL9433520 0.81 ALDH1A1 (0.49) RAB9AMAPTNPC1HTTMAPK1
SCHEMBL9433916 0.80 ALDH1A1 (0.51) RAB9AMAPTNPC1MAPK1ALDH1A1
SCHEMBL9434816 0.79 MAPT (0.52) RAB9AMAPTNPC1MAPK1SNCA
SCHEMBL9433575 0.79 MAPT (0.52) RAB9AMAPTNPC1MAPK1SNCA

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