SCHEMBL9218778

SCHEMBL9218778

N#CN=C(NCCO[N+](=O)[O-])c1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9211859 0.80 KMT2A (0.49) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9209174 0.80 KMT2A (0.39) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8846813 0.79 MEN1 (0.56) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9218782 0.77
SCHEMBL5605983 0.76 KMT2A (0.67) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL14270349 0.76 KMT2A (0.67) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8750744 0.75 MEN1 (0.42) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9214049 0.75 MEN1 (0.42) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9214250 0.75 PTGS1 (0.40) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL9209074 0.74 KMT2A (0.43) MEN1CYP2C9ALOX15CYP2C19KMT2A

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