SCHEMBL7467291

SCHEMBL7467291

CN(c1ccco1)c1ncnc2cc(Cl)c([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.44
CLK4 Q9HAZ1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 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
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRCA1 P38398 1/20 0.38
CSF1R P07333 8/20 0.38
PDGFRB P09619 2/20 0.36
VCAM1 P19320 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7464180 0.80 ACHE (0.40) ALDH1A1LMNAUSP2CYP1A2CYP2D6
SCHEMBL7468270 0.80 MAPT (0.40) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL7470671 0.79 SMN1; SMN2 (0.47) EGFRALDH1A1MAPK1CSF1RPDGFRB
SCHEMBL7472217 0.78 EGFR (0.44) EGFRLMNACSF1RPDGFRBVCAM1
SCHEMBL7469896 0.77 EGFR (0.46) EGFRALDH1A1LMNACSF1RPDGFRB
SCHEMBL7475558 0.77 MAPT (0.43) ALDH1A1LMNAMAPK1MAPTHTT
SCHEMBL7474845 0.75 LMNA (0.55) EGFRCLK4ALDH1A1LMNAUSP2
SCHEMBL7466353 0.73 EGFR (0.47) EGFRALDH1A1LMNACSF1RPDGFRB
SCHEMBL7462398 0.72 EGFR (0.47) EGFRALDH1A1LMNAMAPK1PDGFRB
SCHEMBL30275314 0.71 EGFR (0.54) EGFRALDH1A1LMNACYP3A4TSHR

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