SCHEMBL9218192

SCHEMBL9218192

N#CNC(=NCC(O[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
MAPT P10636 6/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9217290 0.88 MAPT (0.40) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL9218108 0.82 RAB9A (0.46) RAB9AMAPTKMT2AMEN1RXFP1
SCHEMBL9220146 0.80 ALDH1A1 (0.46) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL9212356 0.80 ALDH1A1 (0.46) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL6460660 0.74 MEN1 (0.53) MAPTKMT2AMEN1RXFP1ALDH1A1
SCHEMBL5605989 0.74 MEN1 (0.53) MAPTKMT2AMEN1RXFP1ALDH1A1
SCHEMBL9214622 0.73 LMNA (0.44) RAB9AKMT2ALMNACYP2C9CYP2C19
SCHEMBL9214617 0.73 LMNA (0.44) RAB9AKMT2ALMNACYP2C9CYP2C19
SCHEMBL9601271 0.73 MEN1 (0.51) MAPTKMT2AMEN1RXFP1CYP2C9
SCHEMBL9208882 0.73 MEN1 (0.51) MAPTKMT2AMEN1RXFP1CYP2C9

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