SCHEMBL7467508

SCHEMBL7467508

COc1cccc(CCNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
EGFR P00533 5/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
STAT3 P40763 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDE5A O76074 1/20 0.46
USP2 O75604 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL7470418 0.90 MAPK1 (0.65) MAPK1SMN1; SMN2HTTEGFRMEN1
SCHEMBL7465161 0.89 PDE5A (0.52) MAPK1SMN1; SMN2HTTEGFRMEN1
SCHEMBL7462734 0.87 EGFR (0.55) MAPK1HTTEGFRMEN1KMT2A
SCHEMBL7474181 0.86 MAPK1 (0.56) MAPK1SMN1; SMN2HTTEGFRMAPT
SCHEMBL7464129 0.86 MAPK1 (0.69) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL7470831 0.85 EGFR (0.53) MAPK1HTTEGFRMAPTCLK4
SCHEMBL7475626 0.82 HTT (0.52) MAPK1SMN1; SMN2HTTEGFRMEN1
SCHEMBL7471567 0.82 PIK3CD (0.62) MAPK1HTTEGFRTP53MAPT
SCHEMBL7467721 0.82 MEN1 (0.45) MAPK1SMN1; SMN2HTTEGFRMEN1
SCHEMBL7465156 0.82 MAPK1 (0.53) MAPK1SMN1; SMN2HTTEGFRMEN1

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