SCHEMBL3074528

SCHEMBL3074528

O=[N+]([O-])c1ccc([N+](=O)[O-])c(S)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.59
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 5/20 0.53
TSHR P16473 5/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.47
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 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
SCHEMBL28618 0.83 TDP1 (0.61) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL11822059 0.82 TSHR (0.52) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL600206 0.79 TDP1 (0.68) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL29809877 0.79 TDP1 (0.68) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL392484 0.78 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAHSD17B10
SCHEMBL9170609 0.77 TSHR (0.62) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL7494376 0.77 TSHR (0.67) GPR35TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL22031650 0.77 TDP1 (0.64) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL9129846 0.77 ALDH1A1 (0.67) TDP1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL7902651 0.77 MAPK1 (0.64) TDP1ALDH1A1TSHRMAPK1LMNA

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
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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP 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-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED 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
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed