SCHEMBL7470513

SCHEMBL7470513

O=[N+]([O-])c1cc2c(NC3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc2cc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.53
CNR2 P34972 10/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
GPR174 Q9BXC1 2/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOD1 Q9Y239 1/20 0.41
GPR6 P46095 1/20 0.41

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
SCHEMBL7471664 0.93 CNR1 (0.55) CNR1CNR2GPR174
SCHEMBL7458947 0.91 CCR6 (0.46) CNR1CNR2LMNA
SCHEMBL7458931 0.84 NSD2 (0.56) CNR1CNR2ALDH1A1MAPTHTT
SCHEMBL7463135 0.84 CNR1 (0.53) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL7468677 0.83 ALDH1A1 (0.54) ALDH1A1GAAMAPTHTTLMNA
SCHEMBL7463150 0.83 CYP1A2 (0.41) CNR1CNR2ALDH1A1MAPTHTT
SCHEMBL7464723 0.82 PDGFRB (0.51) MAPT
SCHEMBL7464718 0.82 CYP1A2 (0.37) CNR1CNR2ALDH1A1GAAMAPT
SCHEMBL7467225 0.82 PAK1 (0.46) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL7469276 0.78 MAPT (0.41) CNR1CNR2ALDH1A1MAPTHTT

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
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed