SCHEMBL3056750

SCHEMBL3056750

O=C(Oc1ccccc1)C1C(=S)C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
ELANE P08246 2/20 0.35
P2RY2 P41231 4/20 0.34
CYP2D6 P10635 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 1/20 0.33
FABP7 O15540 1/20 0.33
FABP3 P05413 1/20 0.33
FABP5 Q01469 1/20 0.33
P4HB P07237 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL10649622 0.83 ALDH1A1 (0.40) ALDH1A1POLBKDM4ECYP1A2CYP2C9
SCHEMBL3073163 0.80 KDM4E (0.38) ALDH1A1POLBKDM4ECYP2C9P2RY2
SCHEMBL11194965 0.77 KDM4E (0.38) ALDH1A1POLBKDM4EP2RY2CYP2D6
SCHEMBL11184478 0.77 KDM4E (0.38) ALDH1A1POLBKDM4EP2RY2CYP2D6
SCHEMBL11710445 0.76 ATM (0.44) ALDH1A1POLBKDM4EP2RY2CYP2D6
SCHEMBL7658701 0.76 KDM4E (0.38) ALDH1A1POLBKDM4EP2RY2CYP2D6
SCHEMBL27628368 0.74 ALDH1A1 (0.42) ALDH1A1POLBKDM4ECYP1A2CYP2C9
SCHEMBL12724361 0.72 CYP1A2 (0.49) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL9750458 0.71 ABAT (0.39) ALDH1A1POLBKDM4EP2RY2
SCHEMBL8797292 0.70 HTR2A (0.43) ALDH1A1POLBKDM4ECYP2C9CYP2D6

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-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