SCHEMBL17416601

SCHEMBL17416601

COc1cc(C(=O)N(NC(C)(C)C#N)C(=O)c2ccc3c(c2C)OCCO3)cc(OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.38
NPC1 O15118 9/20 0.35
RAB9A P51151 8/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
TP53 P04637 5/20 0.35
MAPT P10636 5/20 0.35
TSHR P16473 3/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
MAOB P27338 1/20 0.33
CTNNB1 P35222 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
SCHEMBL9905363 0.85 PLK1 (0.40) PLK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL668148 0.81 ABCB1 (0.44) PLK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18091855 0.81 PLK1 (0.41) PLK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL9102042 0.80 PLK1 (0.38) PLK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5705240 0.77 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL668714 0.77 ABCB1 (0.55) PLK1
SCHEMBL9103547 0.74 ABCB1 (0.40) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL668149 0.74 PLK1 (0.38) PLK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL668088 0.74 ABCB1 (0.53) PLK1
SCHEMBL667456 0.73 PLK1 (0.39) PLK1NPC1RAB9ASMN1; SMN2TP53

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 2 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