SCHEMBL23440006

SCHEMBL23440006

Cc1cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(N(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ RXRA P19793 2/20 0.31
▸ RXRB P28702 2/20 0.31
▸ RXRG P48443 2/20 0.31

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
SCHEMBL24771788 0.98 MEN1 (0.31) MEN1CYP2C19KMT2APGRRXRA
SCHEMBL22936267 0.90 MEN1 (0.32) MEN1KMT2A
SCHEMBL22937935 0.90 PGR (0.31) PGRRXRARXRBRXRG
SCHEMBL23439920 0.89 RXRA (0.33) RXRARXRBRXRG
SCHEMBL22933929 0.88 RXRA (0.33) PGRRXRARXRBRXRG
SCHEMBL22934104 0.88 AHR (0.32) MEN1CYP2C19KMT2APGRRXRA
SCHEMBL23438790 0.87 — —
SCHEMBL23439390 0.86 RXRA (0.32) RXRARXRBRXRG
SCHEMBL24771626 0.86 CYP26B1 (0.31) RXRARXRBRXRG
SCHEMBL29331120 0.85 RARA (0.37) MEN1CYP2C19KMT2ARXRARXRB

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-2021107711-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
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