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SCHEMBL24860802

SCHEMBL24860802

CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4c(O)c(O)c(O)c(O)c4O)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ PDK2 Q15119 2/20 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
SCHEMBL23065044 0.90 PDK2 (0.35) ESR1ESR2PDK2KDM4EMEN1
SCHEMBL24860945 0.88 ESR1 (0.34) ESR1ESR2PDK2KDM4EMEN1
SCHEMBL24923292 0.87 PDK2 (0.34) ESR1ESR2PDK2KDM4EMEN1
SCHEMBL26278219 0.86 PDK2 (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL16802019 0.86 KDM4E (0.31) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL20806589 0.86 KDM4E (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL26282975 0.86 KDM4E (0.32) ESR1ESR2PDK2KDM4EMEN1
SCHEMBL23065543 0.85 KDM4E (0.30) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL23065502 0.85 KDM4E (0.33) ESR1ESR2PDK2KDM4EMEN1
SCHEMBL26286496 0.85 KDM4E (0.34) ESR1ESR2PDK2KDM4EMEN1

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
EP-3790857-B1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2023-01-11 — — EP disclosed
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