SCHEMBL9600959

SCHEMBL9600959

N#CN/C(=N\CCO[N+](=O)[O-])c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 8/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL9211867 1.00 CYP2C9 (0.38) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9209412 0.93 NAMPT (0.38) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL5605989 0.86 MEN1 (0.53) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL6460660 0.86 MEN1 (0.53) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL29484650 0.82 CYP2C19 (0.49) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL676076 0.82 CYP2C19 (0.49) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL676077 0.82 CYP2C19 (0.49) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9218782 0.81
SCHEMBL8750786 0.80 MEN1 (0.34) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL8750746 0.80 HDAC1 (0.35) CYP2C9CYP2C19MEN1ALOX15KMT2A

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
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed