SCHEMBL7474668

SCHEMBL7474668

COc1ccc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
EGFR P00533 7/20 0.56
POLB P06746 1/20 0.56
NR2F2 P24468 1/20 0.56
MAPK1 P28482 2/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PDE5A O76074 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL7465161 0.90 PDE5A (0.52) HTTMEN1KMT2AEGFRMAPK1
SCHEMBL7470418 0.89 MAPK1 (0.65) HTTMEN1KMT2AEGFRMAPK1
SCHEMBL7465009 0.88 HTT (0.57) HTTMEN1KMT2AEGFRMAPK1
SCHEMBL7473179 0.88 MAPK1 (0.58) HTTEGFRMAPK1LMNA
SCHEMBL7473060 0.88 STAT1 (0.64) HTTMEN1KMT2AEGFRMAPK1
SCHEMBL7472725 0.87 EGFR (0.61) HTTEGFRMAPK1
SCHEMBL7475448 0.86 EGFR (0.56) HTTEGFRKDM4ESMN1; SMN2LMNA
SCHEMBL7473897 0.86 EGFR (0.55) HTTEGFRNR2F2MAPK1
SCHEMBL7461665 0.86 USP10 (0.59) HTTMEN1KMT2AEGFRMAPK1
SCHEMBL7475194 0.86 EGFR (0.66) HTTEGFRNR2F2MAPK1KDM4E

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