SCHEMBL7463399

SCHEMBL7463399

NCC1CCN(c2cc3ncnc(NCCc4ccccc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.49
MAPK1 P28482 2/20 0.45
EGFR P00533 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
APP P05067 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCNC P24863 1/20 0.42
CDKN1A P38936 1/20 0.42
CDK8 P49336 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
DNMT1 P26358 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 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
SCHEMBL7469787 0.92 HTT (0.48) PRKCQHTTMAPTDNMT1DNMT3A
SCHEMBL7468943 0.91 MAPK1 (0.46) PRKCQMAPK1EGFRHTTLMNA
SCHEMBL7465055 0.86 HTR6 (0.55) MAPK1EGFRHTTLMNAAPP
SCHEMBL7466158 0.86 HTR6 (0.55) MAPK1EGFRHTTLMNAAPP
SCHEMBL7458966 0.85 MAPK1 (0.47) MAPK1EGFRHTTLMNAAPP
SCHEMBL7471194 0.84 MAPK1 (0.48) MAPK1EGFRHTTLMNAAPP
SCHEMBL7470615 0.83 HTT (0.50) MAPK1HTTLMNAMAPTDNMT1
SCHEMBL7470361 0.83 HTT (0.45) PRKCQMAPK1HTTSMN1; SMN2AURKA
SCHEMBL7467064 0.83 HTR6 (0.52) MAPK1EGFRHTTLMNAAPP
SCHEMBL7465454 0.83 ACHE (0.47) MAPK1EGFRHTTLMNAAPP

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