SCHEMBL7470701

SCHEMBL7470701

COc1cc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.56
MAPK1 P28482 3/20 0.52
HTT P42858 3/20 0.49
STAT1 P42224 1/20 0.49
RAF1 P04049 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 3/20 0.48
EGFR P00533 3/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LCK P06239 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7473060 0.89 STAT1 (0.64) PDE5AMAPK1HTTSTAT1RAF1
SCHEMBL7474668 0.84 HTT (0.63) PDE5AMAPK1HTTLMNAKDM4E
SCHEMBL7465102 0.84 PDE5A (0.54) PDE5AMAPK1KDM4EALDH1A1MEN1
SCHEMBL7465501 0.84 STAT1 (0.56) PDE5AMAPK1HTTSTAT1RAF1
SCHEMBL7470465 0.83 MAPK1 (0.66) MAPK1HTTLMNAKDM4EEGFR
SCHEMBL7470418 0.82 MAPK1 (0.65) PDE5AMAPK1HTTRAF1LMNA
SCHEMBL7472816 0.81 EGFR (0.48) MAPK1HTTRAF1KDM4EEGFR
SCHEMBL7464129 0.81 MAPK1 (0.69) PDE5AMAPK1HTTSTAT1LMNA
SCHEMBL7466553 0.81 STAT1 (0.52) PDE5AMAPK1HTTSTAT1RAF1
SCHEMBL7473136 0.81 STAT1 (0.52) PDE5AMAPK1HTTSTAT1RAF1

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