SCHEMBL7474841

SCHEMBL7474841

O=[N+]([O-])c1cc2c(NCc3cc4c(cc3Cl)OCO4)ncnc2cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.48
EGFR P00533 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CLK4 Q9HAZ1 3/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7475093 0.87 PDE5A (0.68) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7468081 0.85 KMT2A (0.42) PDE5AEGFRMEN1KMT2AALDH1A1
SCHEMBL7474799 0.81 PDE5A (0.59) PDE5AEGFRMEN1KMT2AALDH1A1
SCHEMBL7461202 0.80 PDE5A (0.53) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7465102 0.80 PDE5A (0.54) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7467801 0.79 EGFR (0.63) PDE5AEGFRMEN1KMT2AALDH1A1
SCHEMBL7465660 0.78 EGFR (0.56) EGFRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7474842 0.78 RXFP1 (0.62) EGFRALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL7469892 0.77 EGFR (0.55) EGFRALDH1A1SMN1; SMN2MAPK1
SCHEMBL7475194 0.77 EGFR (0.66) EGFRSMN1; SMN2LMNATSHRMAPK1

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