SCHEMBL5301730

SCHEMBL5301730

O=[N+]([O-])c1ccc(-c2ccc(F)cc2)nc1NCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.49
SCN9A Q15858 1/20 0.45
KCNA5 P22460 1/20 0.45
HIF1A Q16665 1/20 0.42
PDE5A O76074 3/20 0.42
MAPK14 Q16539 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.41
JAK2 O60674 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5301989 0.79 MAPT (0.55) CTSBKCNA5PDE5APKMJAK2
SCHEMBL8134885 0.77 PKM (0.61) CTSBSMN1; SMN2PKMMAOAMAOB
SCHEMBL18547825 0.76 CTSB (0.61) CTSBPKMJAK2MAOAMAOB
SCHEMBL9537830 0.76 TXNRD1 (0.52) CTSBPKMMAOANPC1MAPT
SCHEMBL1917607 0.73 PIN1 (0.57) CTSBKCNA5PKMJAK2MAOA
SCHEMBL1693791 0.72 JAK2 (0.40) CTSBKCNA5PDE5APKMJAK2
SCHEMBL5306617 0.72 PDE5A (0.41) PDE5ASMN1; SMN2PIK3CAPIK3CBPIK3CG
SCHEMBL8245922 0.72 PDE5A (0.52) PDE5A
SCHEMBL8247724 0.71 PDE5A (0.72) SCN9AKCNA5PDE5AMAPK14MAPK13
SCHEMBL18380137 0.70 HDAC1 (0.44) SMN1; SMN2KMT2A

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
WO-2007020521-A1 PYRIDOYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-02-22 WO disclosed