SCHEMBL7465161

SCHEMBL7465161

COc1ccc(CCNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.52
MAPK1 P28482 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
STAT3 P40763 1/20 0.51
HTT P42858 3/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 1/20 0.49
EGFR P00533 1/20 0.48
AURKA O14965 2/20 0.47
PKM P14618 1/20 0.47
RPS6KB1 P23443 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL7474668 0.90 HTT (0.63) PDE5AMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7467508 0.89 MAPK1 (0.52) PDE5AMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7475626 0.89 HTT (0.52) PDE5AMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7469664 0.89 HTT (0.63) PDE5AMAPK1MEN1KMT2AHTT
SCHEMBL7464129 0.88 MAPK1 (0.69) PDE5AMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7469795 0.88 EGFR (0.60) PDE5AMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7474665 0.87 HTT (0.62) PDE5AMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7464363 0.87 HTT (0.54) PDE5AMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7474181 0.86 MAPK1 (0.56) MAPK1SMN1; SMN2HTTMAPTLMNA
SCHEMBL7528662 0.85 EGFR (0.52) PDE5AMAPK1MEN1KMT2ASMN1; SMN2

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