SCHEMBL16482459

SCHEMBL16482459

CC(C)(C)c1ccc2oc3c4ccccc4[nH]c3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.56
▸ CDK5 Q00535 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ PON1 P27169 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ PRKCG P05129 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
SCHEMBL16482705 0.82 KIF11 (0.46) KIF11CDK5DYRK1ACDK5R1PON1
SCHEMBL16482714 0.82 KIF11 (0.44) KIF11CDK5DYRK1APON1ALDH1A1
SCHEMBL21377185 0.79 KIF11 (0.58) KIF11CDK5DYRK1ACDK5R1PON1
SCHEMBL7499024 0.78 ERCC5 (0.50) KIF11CDK5DYRK1ACDK5R1ALDH1A1
SCHEMBL24071853 0.78 AHR (0.45) CDK5DYRK1ACDK5R1ALDH1A1CDK2
SCHEMBL16482458 0.78 KDM4E (0.46) KIF11CDK5DYRK1ACDK5R1ALDH1A1
SCHEMBL29499026 0.78 AHR (0.45) CDK5DYRK1ACDK5R1ALDH1A1CDK2
SCHEMBL17284951 0.74 AR (0.52) CDK5DYRK1ACDK5R1ALDH1A1MAPT
SCHEMBL10226928 0.74 KIF11 (0.59) KIF11PON1ALDH1A1MAPTKDM4E
SCHEMBL1635623 0.73 KIF11 (0.50) KIF11CDK5DYRK1ACDK5R1ALDH1A1

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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