SCHEMBL9217331

SCHEMBL9217331

N#CNC(=NCCO[N+](=O)[O-])c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
GAA P10253 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
POLB P06746 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
F2 P00734 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 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
SCHEMBL9218782 0.79
SCHEMBL9219427 0.76 PTGS1 (0.40) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL9209174 0.76 KMT2A (0.39) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL9212702 0.76 SCN5A (0.42) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL9212698 0.76 SCN5A (0.42) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL9600959 0.76 CYP2C9 (0.38) KMT2AMAPTMEN1
SCHEMBL9211867 0.76 CYP2C9 (0.38) KMT2AMAPTMEN1
SCHEMBL9209089 0.75 HTR1A (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6460660 0.74 MEN1 (0.53) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL5605989 0.74 MEN1 (0.53) KMT2AALDH1A1MAPTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP 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