SCHEMBL8750744

SCHEMBL8750744

N#CN=C(NCCO[N+](=O)[O-])c1ccc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
EPHX2 P34913 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL9214049 0.86 MEN1 (0.42) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750777 0.83 MEN1 (0.39) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL5605983 0.81 KMT2A (0.67) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL14270349 0.81 KMT2A (0.67) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211859 0.80 KMT2A (0.49) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750781 0.80 MEN1 (0.45) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211506 0.79 HSD17B10 (0.42) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750746 0.79 HDAC1 (0.35) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211972 0.76 ALOX15 (0.46) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9209074 0.76 KMT2A (0.43) 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 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