SCHEMBL8722302

SCHEMBL8722302

O=[N+]([O-])c1cccc(-c2ccc(-n3ccnc3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
PKM P14618 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PDE4B Q07343 1/20 0.40
APP P05067 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8726099 0.81 PKM (0.41) MGAMGAASIPKMMGAM2
SCHEMBL8722148 0.80 CHRNB2 (0.41) MGAMGAASIPKMMGAM2
SCHEMBL27958208 0.80 CYP11B1 (0.54) GAALMNAMAPTNPC1CYP1A2
SCHEMBL2179103 0.77 APP (0.66) MGAMGAASIPKMMGAM2
SCHEMBL8720919 0.76 MAPT (0.46) MGAMGAASIPKMMGAM2
SCHEMBL8722162 0.75 PKM (0.36) MGAMGAASIPKMMGAM2
SCHEMBL2627217 0.74 IDO1 (0.59) LMNAMAPTCYP3A4CYP2A6ALDH1A1
SCHEMBL11523469 0.74 APP (0.61) MGAMGAASIPKMMGAM2
SCHEMBL30469302 0.73 PKM (0.52) MGAMGAASIPKMMGAM2
SCHEMBL20557297 0.73 PKM (0.52) MGAMGAASIPKMMGAM2

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