SCHEMBL9301310

SCHEMBL9301310

NC[C@H](O)/C=C/CNc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KAT2B Q92831 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL9299952 0.86 KCNMA1 (0.41) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL9301608 0.86 TDP1 (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9300444 0.84 KAT2B (0.34) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL9300380 0.79 MAPT (0.36) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9301043 0.79 KAT2B (0.35) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9387854 0.78 MAPT (0.47) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9299967 0.76 MAPT (0.46) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9300400 0.75 NPSR1 (0.43) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL4606975 0.72 MAPT (0.49) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9300182 0.71 KAT2B (0.54) MAPTALDH1A1MEN1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 WO claimed
US-5362747-A Promoters, inhibitors ABBOTT LABORATORIES (US) 1994-11-08 US disclosed
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed