SCHEMBL3074115

SCHEMBL3074115

N=C(Nc1ccccc1)SC(=N)OO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.39
TAS2R38 P59533 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
CDK9 P50750 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP3A4 P08684 1/20 0.39
NOX1 Q9Y5S8 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TYR P14679 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL3085259 0.81 TDP1 (0.41) ALDH1A1SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL3061081 0.76 KMT2A (0.45) PHGDHALDH1A1SMN1; SMN2CYP3A4MEN1
SCHEMBL3064726 0.76 PHGDH (0.63) PHGDHTAS2R38HSD17B10ALDH1A1TP53
SCHEMBL3068613 0.76 ALDH1A1 (0.48) PHGDHTAS2R38HSD17B10ALDH1A1TP53
SCHEMBL3063177 0.74 EPHX2 (0.50) HSD17B10ALDH1A1TP53TSHREPHX1
SCHEMBL3075685 0.74 KDM4E (0.49) HSD17B10ALDH1A1TSHREPHX1SMN1; SMN2
SCHEMBL3078248 0.73 PLA2G1B (0.45) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL7403710 0.73 HSD17B10 (0.48) PHGDHTAS2R38HSD17B10ALDH1A1TP53
Hydrochloric Acid SCHEMBL9425234 0.71 HSD17B10 (0.46) PHGDHTAS2R38HSD17B10ALDH1A1TP53
Iodide SCHEMBL1286893 0.71 HSD17B10 (0.46) PHGDHTAS2R38HSD17B10ALDH1A1TP53

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-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-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed