SCHEMBL3068116

SCHEMBL3068116

c1ccc(NN=C(N=Nc2cccs2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
GAA P10253 6/20 0.49
HTT P42858 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 2/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 2/20 0.38
KCNK3 O14649 1/20 0.34

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
SCHEMBL3076753 0.87 RAB9A (0.41) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL3076749 0.87 RAB9A (0.41) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL322062 0.78 RAB9A (0.73) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL491429 0.78 RAB9A (0.73) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL8986676 0.74 CYP1A1 (0.53) RAB9ANPC1GAATDP1MAPT
SCHEMBL29812424 0.74 RAB9A (0.71) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL491458 0.73 ALDH1A1 (0.51) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL491460 0.73 ALDH1A1 (0.51) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL3068110 0.73 RAB9A (0.52) RAB9ANPC1L3MBTL1GAAHTT
SCHEMBL3880196 0.73 RAB9A (0.69) RAB9ANPC1L3MBTL1GAAHTT

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 16 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
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