SCHEMBL5605989

SCHEMBL5605989

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TBXA2R P21731 1/20 0.36
TBXAS1 P24557 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.35
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6460660 1.00 MEN1 (0.53) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL29484650 0.96 CYP2C19 (0.49) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL676077 0.96 CYP2C19 (0.49) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL676076 0.96 CYP2C19 (0.49) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL9208882 0.93 MEN1 (0.51) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL9601271 0.93 MEN1 (0.51) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL9600959 0.86 CYP2C9 (0.38) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL9211867 0.86 CYP2C9 (0.38) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL8750786 0.81 MEN1 (0.34) MEN1KMT2ACYP2C9CYP2C19ALOX15
SCHEMBL8750746 0.81 HDAC1 (0.35) MEN1KMT2ACYP2C9CYP2C19ALOX15

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