SCHEMBL7773456

SCHEMBL7773456

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
RECQL P46063 2/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNH3 Q9ULD8 7/20 0.45
HTT P42858 1/20 0.42
IDO1 P14902 1/20 0.38
CTSK P43235 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL11696131 0.86 ALDH1A1 (0.54) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL7770596 0.83 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL7765552 0.82 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL775014 0.76 ALDH1A1 (0.63) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL29379826 0.76 ALDH1A1 (0.63) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL10827659 0.75 TDP1 (0.52) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL11080086 0.73 IDO1 (0.45) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL14092342 0.72 CDC25A (0.49) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL5953329 0.71 ALDH1A1 (0.72) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL22313288 0.69 MAPT (0.47) TDP1ALDH1A1CYP3A4TSHRHSD17B10

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 3 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 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