SCHEMBL3079520

SCHEMBL3079520

c1ccc2[nH]c(CSCc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.83
NPC1 O15118 7/20 0.83
RAB9A P51151 7/20 0.83
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
ALDH1A1 P00352 3/20 0.73
GAA P10253 2/20 0.73
THRB P10828 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
LMNA P02545 5/20 0.71
HTT P42858 3/20 0.71
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
POLB P06746 2/20 0.63
DDAH1 O94760 1/20 0.63
HPGD P15428 2/20 0.61
MAPT P10636 1/20 0.58

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
SCHEMBL3065316 0.88 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9866161 0.88 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15552229 0.87 NPC1 (0.80) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Bromide SCHEMBL11317742 0.86 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14510144 0.85 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11130494 0.85 NPC1 (0.65) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7823940 0.84 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10769383 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3429462 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL230024 0.81 GAA (0.78) SMN1; SMN2NPC1RAB9AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 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
WO-2004083263-A1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INNOVENE EUROPE LIMITED (GB) 2004-09-30 WO 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-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