SCHEMBL9214049

SCHEMBL9214049

N#CN=C(NCCO[N+](=O)[O-])c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NAPRT Q6XQN6 1/20 0.35
DGAT1 O75907 2/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8750744 0.86 MEN1 (0.42) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750777 0.83 MEN1 (0.39) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL14270349 0.81 KMT2A (0.67) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL5605983 0.81 KMT2A (0.67) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211859 0.80 KMT2A (0.49) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211506 0.79 HSD17B10 (0.42) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9211972 0.76 ALOX15 (0.46) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9209074 0.76 KMT2A (0.43) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9218778 0.75 MEN1 (0.39) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8750781 0.75 MEN1 (0.45) MEN1KMT2ACYP2C9ALOX15CYP2C19

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