SCHEMBL3076830

SCHEMBL3076830

O=C(S)N/C(=N\c1cccc2ccccc12)Nc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
KDM4E B2RXH2 4/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 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
SCHEMBL3082630 0.87 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9628907 0.86 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5932951 0.78 KDM4E (0.69) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL10577877 0.77 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3056828 0.77 SIGMAR1 (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3068433 0.75 KDM4E (0.61) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL3085282 0.74 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1273875 0.74 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3085284 0.74 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9438295 0.73 SIGMAR1 (0.97) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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