SCHEMBL7770596

SCHEMBL7770596

CC(C)CC(C)Nc1ccc(Nc2ccccc2)c(N=O)c1N=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 3/20 0.56
TSHR P16473 3/20 0.56
HSD17B10 Q99714 3/20 0.56
ALOX15 P16050 3/20 0.56
ALOX12 P18054 2/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 4/20 0.37
LMNA P02545 3/20 0.37
ATM Q13315 3/20 0.37
RECQL P46063 2/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.36
PLK1 P53350 2/20 0.36
KCNH3 Q9ULD8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7765552 0.87 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL7773456 0.83 TDP1 (0.50) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL29377523 0.80 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL108060 0.80 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL11696131 0.79 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL9863881 0.79 HSD17B10 (0.63) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL31215174 0.73 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL15476044 0.73 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL39447 0.73 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL1028410 0.72 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRHSD17B10ALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US claimed
EP-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP claimed
EP-0522709-A2 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEMICAL COMPANY, Inc. (US) 1993-01-13 EP claimed
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US disclosed
EP-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP disclosed
EP-0522709-A2 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEMICAL COMPANY, Inc. (US) 1993-01-13 EP disclosed