SCHEMBL9209174

SCHEMBL9209174

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MEN1 O00255 4/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL9218778 0.80 MEN1 (0.39) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL8846651 0.78 ALDH1A1 (0.60) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9211859 0.77 KMT2A (0.49) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9214250 0.76 PTGS1 (0.40) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9217331 0.76 KMT2A (0.34) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL9212709 0.76 SMN1; SMN2 (0.56) HSD17B10MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL14270349 0.75 KMT2A (0.67) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9209074 0.75 KMT2A (0.43) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL5605983 0.75 KMT2A (0.67) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL8750744 0.72 MEN1 (0.42) KMT2AMEN1CYP2C9ALOX15CYP2C19

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