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SCHEMBL22151235

SCHEMBL22151235

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3cccc(-c5ccccc5)c3)c3ccccc3-4)cc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.35
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21335275 0.96 PDK2 (0.35) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL21335264 0.96 PDK2 (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL24883021 0.96 ESR1 (0.33) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL22151229 0.96 ESR1 (0.33) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL24974856 0.95 PDK2 (0.33) PDK2ESR1ESR2
SCHEMBL24974806 0.95 PDK2 (0.32) PDK2ESR1ESR2
SCHEMBL25124595 0.95 PDK2 (0.34) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL25125637 0.95 PDK2 (0.34) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL16996082 0.95 PDK2 (0.32) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL21335280 0.94 PDK2 (0.35) PDK2KDM4EMEN1LMNAMAPT

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-2020127145-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-25 — — WO disclosed
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