SCHEMBL9601271

SCHEMBL9601271

N#CN/C(=N\CCCO[N+](=O)[O-])c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TBXA2R P21731 3/20 0.37
TBXAS1 P24557 3/20 0.37
HRH4 Q9H3N8 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9208882 1.00 MEN1 (0.51) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL5605989 0.93 MEN1 (0.53) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL6460660 0.93 MEN1 (0.53) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL676076 0.89 CYP2C19 (0.49) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL29484650 0.89 CYP2C19 (0.49) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL676077 0.89 CYP2C19 (0.49) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9209412 0.86 NAMPT (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9208869 0.81 KMT2A (0.58) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9600959 0.79 CYP2C9 (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211867 0.79 CYP2C9 (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19

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