SCHEMBL31026093

SCHEMBL31026093

CC(C)(C)c1cc(-c2ccccc2)c2c(c1)-c1ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc1C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ KCNK9 Q9NPC2 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
SCHEMBL31026100 0.94 PDK2 (0.40) PDK2
SCHEMBL31584054 0.84 CNR1 (0.44) PDK2ABCG2MAPK14STK10SLK
SCHEMBL30359216 0.83 CNR1 (0.43) PDK2ABCG2MAPK14STK10SLK
SCHEMBL30363263 0.83 PDK2 (0.39) PDK2ABCG2NPC1ALDH1A1PLA2G1B
SCHEMBL26599461 0.83 PDK2 (0.39) PDK2ABCG2NPC1ALDH1A1PLA2G1B
SCHEMBL20196495 0.82 PDK2 (0.47) PDK2ABCG2NPC1ALDH1A1PLA2G1B
SCHEMBL29706077 0.82 PDK2 (0.47) PDK2ABCG2NPC1ALDH1A1PLA2G1B
SCHEMBL29853707 0.82 PDK2 (0.49) PDK2ABCG2NPC1ALDH1A1PLA2G1B
SCHEMBL30935419 0.82 PDK2 (0.49) PDK2ABCG2NPC1ALDH1A1PLA2G1B
SCHEMBL16596687 0.82 PDK2 (0.49) PDK2ABCG2NPC1ALDH1A1PLA2G1B

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-4665715-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2025-12-24 — — EP disclosed
WO-2024170605-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-08-22 — — WO disclosed
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