SCHEMBL7470639

SCHEMBL7470639

COc1cc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)ccc1OC1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.52
MAPK1 P28482 3/20 0.50
EPHA2 P29317 1/20 0.49
KDR P35968 1/20 0.49
EPHB4 P54760 1/20 0.49
HTT P42858 4/20 0.48
RAF1 P04049 1/20 0.48
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PDE5A O76074 2/20 0.46
EGFR P00533 4/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
LCK P06239 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
SCHEMBL7466553 0.97 STAT1 (0.52) STAT1MAPK1EPHA2KDREPHB4
SCHEMBL7473060 0.90 STAT1 (0.64) STAT1MAPK1HTTRAF1KDM4E
SCHEMBL7467142 0.84 STAT1 (0.43) STAT1MAPK1EPHA2KDREPHB4
SCHEMBL7465501 0.84 STAT1 (0.56) STAT1MAPK1HTTRAF1KDM4E
SCHEMBL7463544 0.81 STAT1 (0.43) STAT1MAPK1EPHA2KDREPHB4
SCHEMBL7470701 0.81 PDE5A (0.56) STAT1MAPK1HTTRAF1KDM4E
SCHEMBL7464129 0.81 MAPK1 (0.69) STAT1MAPK1HTTKDM4EMEN1
SCHEMBL4725990 0.80 MAPK1 (0.59) STAT1MAPK1HTTRAF1KDM4E
SCHEMBL7474668 0.80 HTT (0.63) MAPK1HTTKDM4EMEN1KMT2A
SCHEMBL7473136 0.80 STAT1 (0.52) STAT1MAPK1HTTRAF1KDM4E

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