SCHEMBL3074018

SCHEMBL3074018

c1ccc(N=Nc2ccccc2-c2nccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TRPA1 O75762 2/20 0.38
ADRA1A P35348 3/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GLO1 Q04760 1/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADRA2A P08913 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
SCHEMBL3074016 1.00 PDPK1 (0.49) PDPK1CASP3SENP8SENP7SENP6
SCHEMBL27604830 0.80 CASP3 (0.54) PDPK1CASP3SENP8SENP7SENP6
SCHEMBL22455350 0.78 PDPK1 (0.48) PDPK1ALDH1A1ADRA1AADRA1DADRA1B
SCHEMBL29248730 0.78 PDPK1 (0.69) PDPK1MAOAMAOBALDH1A1TRPA1
SCHEMBL5692672 0.76 PDPK1 (0.64) PDPK1ALDH1A1ADRA1AADRA1DADRA1B
SCHEMBL1951149 0.74 PDPK1 (0.61) PDPK1ALDH1A1ADRA1AADRA1DADRA1B
SCHEMBL17657656 0.74 CASP3 (0.68) CASP3SENP8SENP7SENP6MAOA
SCHEMBL3079317 0.74 CASP3 (0.53) CASP3SENP8SENP7SENP6MAOA
SCHEMBL12006248 0.73 PDPK1 (0.47) PDPK1ALDH1A1ADRA1AADRA1DADRA1B
SCHEMBL7466390 0.72 PDPK1 (0.42) PDPK1ALDH1A1ADRA1AADRA1DADRA1B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103468247-B Molecule clamp phenanthroline-benzazoles fluorescent reagent and its preparation method and application GUIZHOU UNIVERSITY (CN) 2015-09-23 CN disclosed
CN-103468247-A Molecular tweezer type phenanthroline-benzoxazole fluorescent reagent, as well as preparation method and application thereof UNIV GUIZHOU 2013-12-25 CN disclosed
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
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