SCHEMBL7465985

SCHEMBL7465985

O=[N+]([O-])c1cc2c(NCc3ccc4c(c3)OCO4)ncnc2cc1N1CCCNCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CLK4 Q9HAZ1 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 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
SCHEMBL7473397 0.97 PDE5A (0.59) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7468592 0.92 PDE5A (0.52) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7469494 0.87 PDE5A (0.46) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7470773 0.87 PDE5A (0.59) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7473662 0.86 USP10 (0.47) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7470206 0.86 EGFR (0.52) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7468674 0.85 PDE5A (0.57) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7466788 0.85 PDE5A (0.57) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7466273 0.85 PDE5A (0.57) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7468081 0.84 KMT2A (0.42) PDE5AMEN1KMT2AALDH1A1SMN1; 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