SCHEMBL3056444

SCHEMBL3056444

SCc1cccc2ccsc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
DAO P14920 1/20 0.45
CYP19A1 P11511 2/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
IDO1 P14902 1/20 0.35
HDAC4 P56524 1/20 0.34
BRD4 O60885 1/20 0.34
HTR2B P41595 1/20 0.33
PIM1 P11309 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PABPC1 P11940 1/20 0.31
DNMT1 P26358 1/20 0.31
PIK3C2B O00750 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL12165229 0.79 CYP2A6 (0.46) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL8051919 0.79 CYP2A6 (0.46) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL30620370 0.79 CYP2A6 (0.46) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL3154995 0.79 CYP2A6 (0.46) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL1281862 0.79 CYP2A6 (0.46) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL12432195 0.79 CYP2A6 (0.46) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL30620284 0.79 DAO (0.49) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL2610672 0.79 CYP2A6 (0.50) CYP2A6DAOCYP19A1HTR2AHTR2C
SCHEMBL113854 0.79 CYP2A6 (0.46) CYP2A6DAOCYP19A1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2525624 0.78 DAO (0.44) CYP2A6DAOCYP19A1HTR2AHTR2C

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