SCHEMBL7773457

SCHEMBL7773457

CC(C)N(N=O)c1ccc(N(N=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
ALOX15 P16050 1/20 0.63
ESR1 P03372 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
KMT2A Q03164 4/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL11355172 0.90 ALDH1A1 (0.50) ALDH1A1ALOX15ESR1LMNASMN1; SMN2
SCHEMBL9877797 0.84 ALDH1A1 (0.36) ALDH1A1ALOX15SMN1; SMN2TP53KMT2A
SCHEMBL7770599 0.82 ALDH1A1 (0.53) ALDH1A1ALOX15LMNASMN1; SMN2TP53
SCHEMBL9292268 0.82 ALDH1A1 (0.94) ALDH1A1ALOX15ESR1KMT2AHTT
SCHEMBL7769399 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15LMNASMN1; SMN2TP53
SCHEMBL3916108 0.79 ALDH1A1 (1.00) ALDH1A1ALOX15ESR1KMT2AHTT
SCHEMBL80329 0.79 ALDH1A1 (1.00) ALDH1A1ALOX15ESR1KMT2AHTT
SCHEMBL28397754 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15LMNASMN1; SMN2KMT2A
SCHEMBL11271014 0.77 ALDH1A1 (0.94) ALDH1A1ALOX15ESR1KMT2AHTT
Hydrochloric Acid SCHEMBL10866136 0.77 ALDH1A1 (0.94) ALDH1A1ALOX15ESR1KMT2AHTT

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