SCHEMBL8750786

SCHEMBL8750786

N#CNC(=NCCO[N+](=O)[O-])c1cncc(N)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DDO Q99489 1/20 0.34

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 0.83 MEN1 (0.34) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750832 0.83 MEN1 (0.32) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750724 0.82 MEN1 (0.34) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL5605989 0.81 MEN1 (0.53) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL6460660 0.81 MEN1 (0.53) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211867 0.80 CYP2C9 (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9600959 0.80 CYP2C9 (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750746 0.80 HDAC1 (0.35) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750781 0.79 MEN1 (0.45) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9218461 0.78 MGAM (0.40) MEN1KMT2AHSD17B10KDM4EALDH1A1

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