SCHEMBL3079231

SCHEMBL3079231

NC(=O)/C=C/Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.63
RAB9A P51151 12/20 0.63
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 8/20 0.47
GAA P10253 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47

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
SCHEMBL3079233 1.00 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3077795 0.83 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3077797 0.83 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3083769 0.79 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3083771 0.79 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3070581 0.79 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL19492784 0.79 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3072883 0.78 MEN1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2CA1
SCHEMBL27632260 0.78 CA1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3057246 0.78 MMP1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1

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 19 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
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