SCHEMBL3060610

SCHEMBL3060610

Cc1ccc(C(=Nc2ccccc2)N(O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
HIF1A Q16665 1/20 0.53
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ESR2 Q92731 2/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTR3E A5X5Y0 2/20 0.36
SLC22A2 O15244 2/20 0.36
SLC22A1 O15245 2/20 0.36
SLC22A3 O75751 2/20 0.36
HTR3B O95264 2/20 0.36
PLAU P00749 2/20 0.36
HTR3A P46098 2/20 0.36
HTR3D Q70Z44 2/20 0.36
HTR3C Q8WXA8 2/20 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
SCHEMBL3080877 0.88 KMT2A (0.45) CYP2D6HIF1AESR2KDM4EHPGD
SCHEMBL3080879 0.88 KMT2A (0.45) CYP2D6HIF1AESR2KDM4EHPGD
Hydrochloric Acid SCHEMBL3072896 0.86 KMT2A (0.44) CYP2D6HIF1AESR2KDM4EHPGD
Hydrochloric Acid SCHEMBL3072900 0.86 KMT2A (0.44) CYP2D6HIF1AESR2KDM4EHPGD
SCHEMBL9804159 0.78 CYP2D6 (0.50) CYP2D6HIF1ACES2CES1ESR2
SCHEMBL9804129 0.77 CYP2D6 (0.45) CYP2D6HIF1ACES2CES1ESR2
SCHEMBL3060611 0.77 HPGD (0.38) CYP2D6HIF1AHPGDNOS3NOS1
SCHEMBL4403121 0.72 ESR2 (0.68) CYP2D6HIF1ACES2CES1ESR2
SCHEMBL664329 0.71 CYP2C19 (0.45) CYP2D6HIF1AALDH1A1HTR3ESLC22A2
SCHEMBL664328 0.71 CYP2C19 (0.45) CYP2D6HIF1AALDH1A1HTR3ESLC22A2

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 16 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
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