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SCHEMBL23638830

SCHEMBL23638830

C=Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)cc5F)c(F)c4)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23638831 0.96 PDK2 (0.33) PDK2ESR1ESR2
SCHEMBL23638666 0.95 PDK2 (0.35) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL23638832 0.94 MEN1 (0.35) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL21895075 0.94 ESR1 (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL23638667 0.93 PDK2 (0.34) PDK2ESR1ESR2LMNAMAPT
SCHEMBL22923270 0.92 NFE2L2 (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL21895244 0.92 PDK2 (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL22388418 0.92 PDK2 (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL21895077 0.92 PDK2 (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL23638661 0.91 PDK2 (0.32) PDK2ESR1ESR2

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-2021141382-A1 FLUORENE-BASED COMPOUND, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2021-07-15 — — WO disclosed