SCHEMBL7470465

SCHEMBL7470465

COc1ccccc1CNc1ncnc2cc(Cl)c([N+](=O)[O-])cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.66
ALDH1A1 P00352 9/20 0.64
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
EGFR P00533 2/20 0.58
CYP1A2 P05177 8/20 0.57
CYP3A4 P08684 8/20 0.57
CYP2D6 P10635 8/20 0.57
CYP2C19 P33261 7/20 0.57
HSD17B10 Q99714 7/20 0.57
LMNA P02545 6/20 0.57
TSHR P16473 6/20 0.57
USP2 O75604 6/20 0.57
HIF1A Q16665 5/20 0.57
CYP2C9 P11712 4/20 0.57
CLK4 Q9HAZ1 4/20 0.57
HPGD P15428 4/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL7465156 0.90 MAPK1 (0.53) MAPK1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL7474842 0.87 RXFP1 (0.62) MAPK1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL8825801 0.86 MAPK1 (0.64) MAPK1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL7465660 0.85 EGFR (0.56) MAPK1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL7473060 0.84 STAT1 (0.64) MAPK1ALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL7469892 0.84 EGFR (0.55) MAPK1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL7470701 0.83 PDE5A (0.56) MAPK1ALDH1A1KDM4EEGFRLMNA
SCHEMBL7475194 0.82 EGFR (0.66) MAPK1KDM4ESMN1; SMN2EGFRLMNA
SCHEMBL7474668 0.82 HTT (0.63) MAPK1ALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL7470418 0.81 MAPK1 (0.65) MAPK1ALDH1A1SMN1; SMN2EGFRCYP1A2

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