SCHEMBL25590940

SCHEMBL25590940

O=C(N1CCc2ccc([S+]([O-])NF)cc2C1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.61
▸ ESR2 Q92731 5/20 0.61
▸ PKM P14618 1/20 0.47
▸ ABHD6 Q9BV23 4/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ MERTK Q12866 5/20 0.38
▸ TYRO3 Q06418 4/20 0.38
▸ AXL P30530 2/20 0.38
▸ NR1H2 P55055 1/20 0.37

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
SCHEMBL4183920 0.76 ESR1 (0.74) ESR1ESR2PKMABHD6MERTK
SCHEMBL2993408 0.76 ESR1 (0.68) ESR1ESR2PKMABHD6HDAC6
SCHEMBL2821470 0.75 ESR1 (0.76) ESR1ESR2PKMABHD6MERTK
SCHEMBL585650 0.75 ESR1 (0.72) ESR1ESR2PKMABHD6HDAC6
SCHEMBL8266789 0.75 ESR1 (0.72) ESR1ESR2PKMABHD6HDAC6
SCHEMBL1641841 0.75 ESR1 (0.72) ESR1ESR2PKMABHD6HDAC6
SCHEMBL2616863 0.75 ESR1 (0.72) ESR1ESR2PKMABHD6HDAC6
SCHEMBL13259386 0.75 ESR1 (0.72) ESR1ESR2PKMABHD6HDAC6
SCHEMBL3865684 0.75 ESR1 (0.72) ESR1ESR2PKMABHD6MERTK
SCHEMBL30411956 0.75 ESR1 (0.72) ESR1ESR2PKMABHD6HDAC6

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-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 — — WO disclosed
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