SCHEMBL3076455

SCHEMBL3076455

C1=Cc2c(ccc3ccccc23)N=[As]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.37
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 2/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
PAX8 Q06710 1/20 0.31
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL2996567 0.71 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL717403 0.66 CYP2A6 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31714364 0.66 CYP2A6 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2435414 0.63 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.61 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29477074 0.61 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL8873977 0.61 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29358486 0.61 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.61 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL1330750 0.61 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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