SCHEMBL9101038

SCHEMBL9101038

COc1cccc(C(=O)N(NC(C)(C)C)C(=O)c2cc(C)ccc2Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
ABCB1 P08183 2/20 0.41
RAB9A P51151 3/20 0.40
KCNMA1 Q12791 3/20 0.40
NPC1 O15118 2/20 0.40
JAK2 O60674 1/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL27356523 0.87 KDM4E (0.39) KDM4EGAAMAPTABCB1RAB9A
SCHEMBL5058447 0.81 ABCB1 (0.63) ABCB1
SCHEMBL8998725 0.74 ABCB1 (0.70) ABCB1
SCHEMBL7067587 0.74 ABCB1 (0.64) ABCB1RAB9ANPC1KCNK3KCNK9
SCHEMBL18091856 0.72 ABCB1 (0.43) KDM4EMAPTABCB1RAB9AKCNMA1
SCHEMBL9104050 0.72 ABCB1 (0.48) ABCB1JAK2ALDH1A1SMN1; SMN2
SCHEMBL17416624 0.72 ABCB1 (0.53) ABCB1RAB9ANPC1KCNK3KCNK9
SCHEMBL9099071 0.72 ABCB1 (0.53) ABCB1RAB9ANPC1KCNK3KCNK9
SCHEMBL17416625 0.71 ABCB1 (0.52) ABCB1RAB9ANPC1KCNK3KCNK9
SCHEMBL8998795 0.71 ABCB1 (0.59) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed
EP-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed