SCHEMBL3070482

SCHEMBL3070482

C=C(Nc1ccc2ccccc2c1)C(N)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SIGMAR1 Q99720 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
CXCR4 P61073 2/20 0.44
CA2 P00918 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL651822 0.85 ALDH1A1 (0.61) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL31119169 0.85 ALDH1A1 (0.61) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL3058566 0.84 ALDH1A1 (0.56) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL3072886 0.83 RAB9A (0.57) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL10394966 0.77 KDM4E (0.70) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL3070757 0.77 RAB9A (0.64) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL3078668 0.77 ALDH1A1 (0.51) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL11072593 0.75 NPC1 (0.59) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL24004168 0.74 ALDH1A1 (0.59) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL4516073 0.74 ALDH1A1 (0.61) ALDH1A1SIGMAR1NPC1RAB9AMAPT

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