SCHEMBL3077540

SCHEMBL3077540

O=C(NC1CCCCC1)C(=S)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
RAB9A P51151 6/20 1.00
MAPK1 P28482 1/20 1.00
DUSP3 P51452 1/20 1.00
PTPN5 P54829 1/20 1.00
PTPN11 Q06124 1/20 1.00
MAPT P10636 3/20 0.70
POLB P06746 1/20 0.58
ALDH1A1 P00352 7/20 0.56
EPHX1 P07099 5/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
EPHX2 P34913 1/20 0.56
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53

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
SCHEMBL23736058 0.83 NPC1 (1.00) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL2377367 0.83 NPC1 (1.00) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL3076504 0.83 NPC1 (1.00) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL8165938 0.83 NPC1 (1.00) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL3075946 0.83 ALDH1A1 (0.70) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL3071624 0.80 SMN1; SMN2 (0.67) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL6850969 0.80 SMN1; SMN2 (0.94) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL8937797 0.76 NPC1 (0.76) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL3068524 0.76 SMN1; SMN2 (0.61) NPC1SMN1; SMN2RAB9AMAPK1DUSP3
SCHEMBL11407159 0.76 NPC1 (0.76) NPC1SMN1; SMN2RAB9AMAPK1DUSP3

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 20 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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP 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