SCHEMBL3073692

SCHEMBL3073692

N=C(N)N(C(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.43
BLM P54132 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F12 P00748 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Hydrochloric Acid SCHEMBL28482173 0.98 ALDH1A1 (0.43) ALDH1A1NPSR1BLMRECQLPOLB
SCHEMBL7361311 0.87 NPSR1 (0.43) ALDH1A1NPSR1BLMRECQLPOLB
SCHEMBL458998 0.86 ALDH1A1 (0.46) ALDH1A1NPSR1BLMRECQLTDP1
SCHEMBL764342 0.86 NPSR1 (0.50) ALDH1A1NPSR1BLMRECQLPOLB
SCHEMBL13760588 0.83 PLAU (0.41) ALDH1A1NPSR1BLMRECQLPOLB
SCHEMBL1409829 0.82 NPSR1 (0.46) ALDH1A1NPSR1BLMRECQLPOLB
SCHEMBL7075852 0.82 TDP1 (0.49) ALDH1A1NPSR1BLMRECQLPOLB
SCHEMBL6694014 0.82 NPSR1 (0.43) ALDH1A1NPSR1BLMRECQLPOLB
SCHEMBL10735461 0.81 LMNA (0.41) ALDH1A1BLMRECQLPKMCYP3A4
SCHEMBL6698602 0.80 NPSR1 (0.42) ALDH1A1NPSR1BLMRECQLPOLB

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 US disclosed
US-4178387-A ADMINISTERING AMIDINOUREAS WILLIAM H. RORER, INC. (US) 1979-12-11 US disclosed
US-4150154-A GASTROINTESTINAL ANTISPASMODICS WILLIAM H. RORER, INC. (US) 1979-04-17 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4117165-A ANTIULCER, HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-09-26 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed