SCHEMBL7472816

SCHEMBL7472816

Cc1cc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.48
PGK1 P00558 1/20 0.43
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAF1 P04049 1/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL7470464 0.87 EGFR (0.46) EGFRPGK1MAPK1HTTRAF1
SCHEMBL7473897 0.85 EGFR (0.55) EGFRMAPK1HTT
SCHEMBL7465009 0.85 HTT (0.57) EGFRPGK1MAPK1HTTKDM4E
SCHEMBL7475194 0.82 EGFR (0.66) EGFRMAPK1HTTKDM4E
SCHEMBL7473179 0.82 MAPK1 (0.58) EGFRMAPK1HTT
SCHEMBL7472725 0.81 EGFR (0.61) EGFRMAPK1HTT
SCHEMBL7470701 0.81 PDE5A (0.56) EGFRMAPK1HTTKDM4EALDH1A1
SCHEMBL7474842 0.81 RXFP1 (0.62) EGFRPGK1MAPK1HTTKDM4E
SCHEMBL7461665 0.81 USP10 (0.59) EGFRMAPK1HTT
SCHEMBL7474668 0.80 HTT (0.63) EGFRMAPK1HTTKDM4EALDH1A1

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