SCHEMBL9220146

SCHEMBL9220146

N#CNC(=NCc1ccc([N+](=O)[O-])cc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 5/20 0.46
NAMPT P43490 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL9212356 1.00 ALDH1A1 (0.46) ALDH1A1MAPTNAMPTMEN1KMT2A
SCHEMBL9211586 0.83 NAMPT (0.49) NAMPTMEN1KMT2ALMNARAB9A
SCHEMBL9211805 0.83 NAMPT (0.49) NAMPTMEN1KMT2ALMNARAB9A
SCHEMBL9213979 0.82 NAMPT (0.46) NAMPTKMT2ARAB9A
SCHEMBL9216684 0.82 CYP3A4 (0.52) MAPTNAMPTMEN1KMT2ARAB9A
SCHEMBL9218835 0.82 NAMPT (0.46) NAMPTKMT2ARAB9A
SCHEMBL9216682 0.82 CYP3A4 (0.52) MAPTNAMPTMEN1KMT2ARAB9A
SCHEMBL9218192 0.80 RAB9A (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9218972 0.80 NAMPT (0.43) ALDH1A1MAPTNAMPTKMT2ARAB9A
SCHEMBL9209165 0.80 NAMPT (0.49) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed