SCHEMBL16482705

SCHEMBL16482705

CC(C)(C)c1ccc2oc3c([nH]c4ccc5ccccc5c43)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.46
▸ MCL1 Q07820 1/20 0.36
▸ PON1 P27169 1/20 0.34
▸ MAP3K11 Q16584 2/20 0.34
▸ MAP3K9 P80192 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FYN P06241 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ AHR P35869 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL16482459 0.82 KIF11 (0.56) KIF11PON1MAP3K11MAP3K9ALDH1A1
SCHEMBL16482722 0.81 TDP1 (0.45) KIF11MCL1MAP3K11MAP3K9ALDH1A1
SCHEMBL16482685 0.81 CDK4 (0.47) KIF11MCL1MAPTNPC1RAB9A
SCHEMBL16482714 0.81 KIF11 (0.44) KIF11PON1ALDH1A1MAPTFYN
SCHEMBL19735274 0.79 KIF11 (0.42) KIF11PON1ALDH1A1MAPTL3MBTL1
SCHEMBL21377185 0.78 KIF11 (0.58) KIF11PON1MAP3K11MAP3K9FYN
SCHEMBL18201433 0.77 KIF11 (0.66) KIF11ALDH1A1MEN1POLBGAA
SCHEMBL23051297 0.76 KMT2A (0.44) KIF11PON1ALDH1A1MAPTL3MBTL1
SCHEMBL29625605 0.76 KIF11 (0.64) KIF11ALDH1A1RAB9AMEN1POLB
SCHEMBL16482695 0.73 KIF11 (0.49) KIF11MAP3K11MAP3K9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014058183-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS OF SAID ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2014-04-17 — — WO disclosed
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