SCHEMBL7460865

SCHEMBL7460865

O=C(NC1CC1)c1ccc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.47
EGFR P00533 3/20 0.45
CNR1 P21554 3/20 0.43
CNR2 P34972 1/20 0.42
PDE5A O76074 1/20 0.42
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
KMT2A Q03164 1/20 0.41
TTK P33981 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL7472421 0.83 POLB (0.47) CHRM4EGFRCTNNB1TCF7L2TTK
SCHEMBL7473897 0.82 EGFR (0.55) EGFRMAPK1
SCHEMBL7473179 0.82 MAPK1 (0.58) EGFRCNR1CNR2MAPK1
SCHEMBL7472725 0.81 EGFR (0.61) EGFRMAPK1
SCHEMBL7460987 0.81 PDE5A (0.53) EGFRCNR1PDE5AALDH1A1MAPK1
SCHEMBL7461665 0.80 USP10 (0.59) EGFRCNR1CNR2KMT2AMAPK1
SCHEMBL7465009 0.80 HTT (0.57) EGFRKMT2AALDH1A1MAPK1
SCHEMBL7475194 0.80 EGFR (0.66) EGFRMAPK1
SCHEMBL7469854 0.80 EGFR (0.56) EGFRCNR1CNR2MAPK1
SCHEMBL7529420 0.79 LMNA (0.52) EGFRMAPK1

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