SCHEMBL7465156

SCHEMBL7465156

COc1ccccc1CCNc1ncnc2cc(Cl)c([N+](=O)[O-])cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
EGFR P00533 4/20 0.49
MEN1 O00255 1/20 0.47
STAT3 P40763 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE5A O76074 1/20 0.46
BRD4 O60885 1/20 0.46
ERBB2 P04626 1/20 0.46
ERBB4 Q15303 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
AURKA O14965 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7470465 0.90 MAPK1 (0.66) MAPK1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL7469700 0.88 EGFR (0.54) MAPK1ALDH1A1KDM4EABCG2EGFR
SCHEMBL7474806 0.85 EGFR (0.52) MAPK1ALDH1A1KDM4EEGFRBRD4
SCHEMBL7464129 0.85 MAPK1 (0.69) MAPK1KDM4ESMN1; SMN2ABCG2MEN1
SCHEMBL7474181 0.83 MAPK1 (0.56) MAPK1SMN1; SMN2EGFRHTTLMNA
SCHEMBL7465161 0.82 PDE5A (0.52) MAPK1ALDH1A1SMN1; SMN2EGFRMEN1
SCHEMBL7467508 0.82 MAPK1 (0.52) MAPK1ALDH1A1SMN1; SMN2EGFRMEN1
SCHEMBL7464822 0.82 ACHE (0.46) MAPK1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL7461530 0.80 PKM (0.56) MAPK1ALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL7463424 0.80 EGFR (0.50) MAPK1ALDH1A1KDM4EABCG2EGFR

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