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SCHEMBL17914136

SCHEMBL17914136

Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(CCc5cc(CO)c(O)c(CO)c5)c5ccccc5-6)ccc3-4)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.38
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17914135 0.92 PDK2 (0.40) PDK2PDCD1CD274CASP3RAB9A
SCHEMBL17913977 0.85 PDK2 (0.35) PDK2
SCHEMBL16020399 0.85 PDK2 (0.35) PDK2
SCHEMBL16020448 0.83 BACE1 (0.36) PDK2RAB9A
SCHEMBL16020484 0.83 BACE1 (0.36) PDK2RAB9A
SCHEMBL17429920 0.82 PDK2 (0.39) PDK2
SCHEMBL17429919 0.79 PDK2 (0.36) PDK2
SCHEMBL16025175 0.79 PDK2 (0.45) PDK2
SCHEMBL17427311 0.77 PDK2 (0.36) PDK2
SCHEMBL17427322 0.77 PDK2 (0.36) PDK2

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
US-9389523-B2 Electrophotographic photosensitive member, and electrophotographic apparatus and process cartridge each including the electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2016-07-12 — — US disclosed
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