SCHEMBL7465009

SCHEMBL7465009

Cc1ccc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.54
EGFR P00533 4/20 0.53
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PGK1 P00558 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
SCHEMBL7473179 0.91 MAPK1 (0.58) HTTEGFRMAPK1MAPTL3MBTL1
SCHEMBL7472725 0.90 EGFR (0.61) HTTEGFRMAPK1
SCHEMBL7475626 0.89 HTT (0.52) HTTALDH1A1KDM4EEGFRMAPK1
SCHEMBL7473897 0.89 EGFR (0.55) HTTEGFRMAPK1
SCHEMBL7461665 0.89 USP10 (0.59) HTTEGFRMAPK1LMNAMEN1
SCHEMBL7475194 0.89 EGFR (0.66) HTTKDM4EEGFRMAPK1LMNA
SCHEMBL7474668 0.88 HTT (0.63) HTTALDH1A1KDM4ENPC1EGFR
SCHEMBL7470641 0.86 EGFR (0.50) ALDH1A1EGFRMAPK1LMNA
SCHEMBL7469854 0.86 EGFR (0.56) EGFRMAPK1LMNA
SCHEMBL7529420 0.86 LMNA (0.52) NPC1EGFRMAPK1MAPTTDP1

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