SCHEMBL8720919

SCHEMBL8720919

O=[N+]([O-])c1cccc(-c2cc(-c3cccs3)c(-n3ccnc3)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
HTT P42858 2/20 0.44
HCRTR1 O43613 1/20 0.44
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
PKM P14618 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37

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
SCHEMBL8722162 0.85 PKM (0.36) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL8722319 0.85 MEN1 (0.42) MEN1KMT2ACYP3A4CYP2C9NPSR1
SCHEMBL8726099 0.83 PKM (0.41) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL8722148 0.82 CHRNB2 (0.41) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL8722302 0.76 MGAM (0.42) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL403505 0.74 MAPT (0.64) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL2627217 0.68 IDO1 (0.59) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL8724216 0.68 CYP11B1 (0.42) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL8726103 0.65 MEN1 (0.49) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL2179103 0.64 APP (0.66) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998000430-A1 IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed