SCHEMBL3077639

SCHEMBL3077639

NP(=O)(S)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
CA2 P00918 3/20 0.37
CA4 P22748 2/20 0.37
CA5A P35218 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR1 O14842 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31

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
SCHEMBL111556 0.80 KCNH2 (0.47) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL11219090 0.80 KCNH2 (0.47) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL6684937 0.80 KCNH2 (0.47) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL6827880 0.80 KCNH2 (0.47) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
Ammonia Solution, Strong SCHEMBL10908722 0.78 KCNH2 (0.45) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL3073367 0.76 MAPT (0.38) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL5351835 0.76 KCNH2 (0.44) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL3069417 0.76 MAPT (0.38) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL634506 0.74 KCNH2 (0.42) KCNH2HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL1883203 0.74 KCNH2 (0.61) KCNH2HPGDMAPTHSD17B10SMN1; 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 17 patents. 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
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