SCHEMBL8750832

SCHEMBL8750832

CCNc1cncc(C(=NCCO[N+](=O)[O-])NC#N)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8750731 0.88 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8750724 0.87 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8750786 0.83 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8750749 0.80 MEN1 (0.42) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL5605989 0.78 MEN1 (0.53) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL6460660 0.78 MEN1 (0.53) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9211867 0.77 CYP2C9 (0.38) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9600959 0.77 CYP2C9 (0.38) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL676076 0.76 CYP2C19 (0.49) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL676077 0.76 CYP2C19 (0.49) MEN1CYP2C9ALOX15CYP2C19KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed