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Sugi Predict / Compounds / SCHEMBL12379008

SCHEMBL12379008

SCHEMBL12379008

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL12568925 1.00 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12379073 1.00 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12568843 1.00 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12379068 0.98 PDK2 (0.34) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12568841 0.98 PDK2 (0.34) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12379093 0.97 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12379002 0.95 PDK2 (0.34) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12379096 0.94 PDK2 (0.40) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12379085 0.94 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12379076 0.93 PDK2 (0.33) PDK2NPC1ALDH1A1PLA2G1BNFKB1

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
US-8288018-B2 Amino compound for organic light-emitting device and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2012-10-16 — — US disclosed
US-8288018-B2 Amino compound for organic light-emitting device and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2012-10-16 — — US disclosed
US-20110198576-A1 AMINO COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-08-18 — — US disclosed
US-20110198576-A1 AMINO COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-08-18 — — US disclosed