SCHEMBL3071081

SCHEMBL3071081

c1ccc(N=Nc2ccccc2-c2nc3ccccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
USP2 O75604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TOP2A P11388 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
HSD17B10 Q99714 5/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KDM6B O15054 1/20 0.46
KDM6A O15550 1/20 0.46
MEN1 O00255 4/20 0.44

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
SCHEMBL3071078 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL22418794 0.83 TOP2A (0.48) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL29504749 0.78 TOP2A (0.62) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL171055 0.78 TOP2A (0.62) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12854009 0.76 TOP2A (0.60) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL29531707 0.74 NPC1 (0.69) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL824375 0.74 NPC1 (0.69) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL3071072 0.74 RAB9A (0.47) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL3071075 0.74 RAB9A (0.47) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL3788633 0.74 PTGS2 (0.66) ALDH1A1HPGDKDM4EMAPTUSP2

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