SCHEMBL3071233

SCHEMBL3071233

O=[N+]([O-])c1cccc([N+](=O)[O-])c1S

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.61
▸ GPR35 Q9HC97 2/20 0.58
▸ TSHR P16473 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ S100A4 P26447 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.45
▸ PTPRC P08575 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL1970696 0.88 TDP1 (0.54) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL2000175 0.84 TDP1 (0.50) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL11821589 0.84 TDP1 (0.50) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL8570907 0.84 TDP1 (0.50) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL7579996 0.84 GPR35 (0.62) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL6278486 0.84 TSHR (0.64) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL10507144 0.80 ALDH1A1 (0.52) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL11270639 0.80 ALDH1A1 (0.47) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL3959049 0.80 TSHR (0.64) TDP1GPR35TSHRALDH1A1MEN1
SCHEMBL29860129 0.80 ALDH1A1 (0.46) TDP1GPR35TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578590-A2 ANTI-INFLAMMATORY COMPOUND HAVING INHIBITORY ACTIVITY AGAINST MULTIPLE TYROSINE KINASES, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Korea Institute of Science and Technology (KR) 2013-04-10 — — EP disclosed
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-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 — — US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 — — WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 — — US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 — — US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 — — US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 — — US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 — — US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 — — US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
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