SCHEMBL25267628

SCHEMBL25267628

CC(C)C(=O)N1CCc2ccc(S(=O)(=O)NC(C)c3ccc(F)cc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MOGAT2 Q3SYC2 3/20 0.42
▸ MGAT2 Q10469 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30471075 1.00 RAB9A (0.49) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL25209545 1.00 RAB9A (0.49) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL25670207 0.89 RAB9A (0.47) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL30471103 0.89 RAB9A (0.47) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL30471047 0.88 GAA (0.43) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL25215175 0.88 GAA (0.43) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL25214054 0.88 ESR1 (0.50) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL25266996 0.88 ESR1 (0.50) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL30471107 0.88 ESR1 (0.50) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL30471056 0.87 RAB9A (0.47) RAB9AKMT2AMEN1GAAALDH1A1

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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