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SCHEMBL24899533

SCHEMBL24899533

CCC(C)(CC)c1ccc(C(c2ccc(-n3c(=O)c4cc5c(=O)n(C(C)(C)CC)c(=O)c5cc4c3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ RORA P35398 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ RORB Q92753 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL19465249 0.85 ESR1 (0.35) CA12CA1CA2CA9MAPT
SCHEMBL24284038 0.81 CA12 (0.33) CA12CA1CA2CA9MAPT
SCHEMBL14116424 0.81 CA12 (0.39) CA12CA1CA2CA9MAPT
SCHEMBL18823085 0.79 NR1H4 (0.38) CA12CA1CA2CA9MAPT
SCHEMBL15443110 0.78 SMN1; SMN2 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL15443585 0.77 POLB (0.45) CA12CA1CA2CA9MAPT
SCHEMBL14116620 0.77 CA12 (0.35) CA12CA1CA2CA9MAPT
SCHEMBL21168261 0.77 CA12 (0.35) CA12CA1CA2CA9ESR1
SCHEMBL15443520 0.76 MAPK1 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL22785990 0.76 — —

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-2023286670-A1 BORON-CONTAINING COMPOUND, LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING ELEMENT USING SAME 国立大学法人九州大学 2023-01-19 — — WO disclosed