SCHEMBL7474339

SCHEMBL7474339

COc1cc(CNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc2c1OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE2A O00408 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
CLK4 Q9HAZ1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL7468739 0.87 PDE5A (0.46) PDE5AMEN1KMT2AALDH1A1LMNA
SCHEMBL7462823 0.85 STAT1 (0.51) PDE5AMEN1KMT2AALDH1A1LMNA
SCHEMBL7473397 0.85 PDE5A (0.59) PDE5AMEN1KMT2ACLK4ALDH1A1
SCHEMBL7465102 0.84 PDE5A (0.54) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL7465985 0.82 PDE5A (0.55) PDE5AMEN1KMT2ACLK4ALDH1A1
SCHEMBL7466276 0.82 MAPK1 (0.56) MEN1KMT2ACLK4ALDH1A1LMNA
SCHEMBL7460966 0.81 STAT1 (0.45) PDE5AMEN1KMT2AALDH1A1LMNA
SCHEMBL7459198 0.81 MEN1 (0.53) PDE5AMEN1KMT2AALDH1A1LMNA
SCHEMBL7468592 0.80 PDE5A (0.52) PDE5AMEN1KMT2ACLK4ALDH1A1
SCHEMBL7468081 0.80 KMT2A (0.42) PDE5AMEN1KMT2ACLK4ALDH1A1

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