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SCHEMBL24744451

SCHEMBL24744451

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cccc5ccc(-c6cccc7ccccc67)c-4c35)cc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.32
▸ DNMT1 P26358 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ TYMS P04818 1/20 0.31
▸ CES1 P23141 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL24744457 0.97 PDK2 (0.33) PDK2DNMT1AKR1C3AKR1C2
SCHEMBL24744464 0.94 SIGMAR1 (0.30) PDK2DNMT1AKR1C3AKR1C2
SCHEMBL24744444 0.94 AKR1C3 (0.33) PDK2DNMT1AKR1C3AKR1C2TYMS
SCHEMBL24744449 0.94 CA12 (0.33) PDK2AKR1C3AKR1C2
SCHEMBL24744137 0.91 PDK2 (0.32) PDK2AKR1C3AKR1C2
SCHEMBL24744975 0.91 MCL1 (0.32) PDK2
SCHEMBL24744454 0.91 CA12 (0.34) AKR1C3AKR1C2
SCHEMBL24744447 0.90 CA12 (0.33) PDK2AKR1C3AKR1C2
SCHEMBL24744524 0.90 CA12 (0.33) —
SCHEMBL24744226 0.89 MCL1 (0.33) —

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-2022260240-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-15 — — WO disclosed