SCHEMBL8750746

SCHEMBL8750746

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
NNMT P40261 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8750782 0.82 HCAR3 (0.33)
SCHEMBL5605989 0.81 MEN1 (0.53) SMN1; SMN2MEN1CYP2C9ALOX15CYP2C19
SCHEMBL6460660 0.81 MEN1 (0.53) SMN1; SMN2MEN1CYP2C9ALOX15CYP2C19
SCHEMBL9211867 0.80 CYP2C9 (0.38) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9600959 0.80 CYP2C9 (0.38) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8750786 0.80 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9218461 0.80 MGAM (0.40) HDAC1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL8750744 0.79 MEN1 (0.42) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL676076 0.78 CYP2C19 (0.49) SMN1; SMN2MEN1CYP2C9ALOX15CYP2C19
SCHEMBL676077 0.78 CYP2C19 (0.49) SMN1; SMN2MEN1CYP2C9ALOX15CYP2C19

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