SCHEMBL7473136

SCHEMBL7473136

COc1ccc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc1OC(=O)C(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.52
MAPK1 P28482 3/20 0.48
PDE5A O76074 3/20 0.46
HTT P42858 2/20 0.46
RAF1 P04049 1/20 0.46
PDE11A Q9HCR9 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ERBB2 P04626 2/20 0.44
EGFR P00533 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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 0.90 STAT1 (0.64) STAT1MAPK1PDE5AHTTRAF1
SCHEMBL7470716 0.84 STAT1 (0.42) STAT1MAPK1PDE5AHTTMEN1
SCHEMBL7465501 0.83 STAT1 (0.56) STAT1MAPK1PDE5AHTTRAF1
SCHEMBL7466553 0.82 STAT1 (0.52) STAT1MAPK1PDE5AHTTRAF1
SCHEMBL7470701 0.81 PDE5A (0.56) STAT1MAPK1PDE5AHTTRAF1
SCHEMBL7464129 0.81 MAPK1 (0.69) STAT1MAPK1PDE5AHTTMEN1
SCHEMBL4725990 0.80 MAPK1 (0.59) STAT1MAPK1PDE5AHTTRAF1
SCHEMBL7474668 0.80 HTT (0.63) MAPK1PDE5AHTTMEN1KMT2A
SCHEMBL7470639 0.80 STAT1 (0.52) STAT1MAPK1PDE5AHTTRAF1
SCHEMBL4728689 0.80 PDE5A (0.55) STAT1MAPK1PDE5AHTTRAF1

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