SCHEMBL5605983

SCHEMBL5605983

N#CN=C(NCCO[N+](=O)[O-])c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
USP2 O75604 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 3/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL14270349 1.00 KMT2A (0.67) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL9208869 0.93 KMT2A (0.58) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL9211859 0.85 KMT2A (0.49) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL14295069 0.82 KMT2A (0.44) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL9211972 0.81 ALOX15 (0.46) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL8750781 0.81 MEN1 (0.45) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL9214049 0.81 MEN1 (0.42) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL8750744 0.81 MEN1 (0.42) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL5051667 0.80 KMT2A (1.00) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL29512234 0.80 KMT2A (1.00) KMT2AMEN1CYP2C9CYP2C19ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US claimed
EP-0956866-A1 DRUGS FOR AMELIORATING OPHTHALMIC CIRCULATORY DISTURBANCE KIRIN BEER KABUSHIKI KAISHA (JP) 1999-11-17 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
JP-4128265-A None JP disclosed
EP-1567179-A4 IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF TUMOR CELL ADHESION, PAIN AND INFLAMMATION OMEROS CORP (US) 2007-06-27 EP disclosed
EP-1567179-A1 IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF TUMOR CELL ADHESION, PAIN AND INFLAMMATION Omeros Corporation (US) 2005-08-31 EP disclosed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US disclosed
WO-2004043479-A1 IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF TUMOR CELL ADHESION, PAIN AND INFLAMMATION OMEROS CORPORATION (US) 2004-05-27 WO disclosed
EP-0956866-A1 DRUGS FOR AMELIORATING OPHTHALMIC CIRCULATORY DISTURBANCE KIRIN BEER KABUSHIKI KAISHA (JP) 1999-11-17 EP disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 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
JP-H04128265-A KRN2391 ACID-ADDUCT SALT AND ITS USE KIRIN BREWERY CO LTD 1992-04-28 JP disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed