SCHEMBL7465102

SCHEMBL7465102

COc1cc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc2c1OCO2

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PDE2A O00408 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7470701 0.84 PDE5A (0.56) PDE5AMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7474339 0.84 PDE5A (0.48) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL7475093 0.83 PDE5A (0.68) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7473060 0.82 STAT1 (0.64) PDE5AMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7474841 0.80 PDE5A (0.48) PDE5AMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7470465 0.78 MAPK1 (0.66) MEN1KMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7474668 0.78 HTT (0.63) PDE5AMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7474799 0.77 PDE5A (0.59) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7465501 0.77 STAT1 (0.56) PDE5AMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7473136 0.76 STAT1 (0.52) PDE5AMEN1KMT2AMAPK1ALDH1A1

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