SCHEMBL3076796

SCHEMBL3076796

S=CNN=Cc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 6/20 0.55
NPSR1 Q6W5P4 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.45
ALOX12 P18054 2/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
MITF O75030 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
SCHEMBL4043916 0.76
SCHEMBL18614635 0.76 ALDH1A1 (0.74) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL18614678 0.76 ALDH1A1 (0.74) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL3083037 0.73 ALDH1A1 (0.61) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL1256043 0.72 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL3067386 0.72 MAPT (0.64) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL3067385 0.72 MAPT (0.64) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL9457362 0.72 NPC1 (0.61) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL9656857 0.70 NPC1 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL9656862 0.70 NPC1 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 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-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