SCHEMBL25590981

SCHEMBL25590981

C[C@H](NS(=O)(=O)c1ccc2c(c1)CN(C(=O)C(C)(C)F)CC2)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ MOGAT2 Q3SYC2 5/20 0.44
▸ PKM P14618 1/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MGAT2 Q10469 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ BCL2 P10415 1/20 0.38

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
SCHEMBL30471056 1.00 RAB9A (0.47) RAB9AMOGAT2PKMESR1ESR2
SCHEMBL25214054 0.93 ESR1 (0.50) RAB9AMOGAT2PKMESR1ESR2
SCHEMBL30471107 0.93 ESR1 (0.50) RAB9AMOGAT2PKMESR1ESR2
SCHEMBL25266996 0.93 ESR1 (0.50) RAB9AMOGAT2PKMESR1ESR2
SCHEMBL30471164 0.90 MOGAT2 (0.44) MOGAT2PKMESR1ESR2GAA
SCHEMBL25247343 0.90 MOGAT2 (0.44) MOGAT2PKMESR1ESR2GAA
SCHEMBL25209545 0.87 RAB9A (0.49) RAB9AMOGAT2GAAALDH1A1MEN1
SCHEMBL25267628 0.87 RAB9A (0.49) RAB9AMOGAT2GAAALDH1A1MEN1
SCHEMBL30471075 0.87 RAB9A (0.49) RAB9AMOGAT2GAAALDH1A1MEN1
SCHEMBL25250671 0.85 ESR1 (0.49) RAB9APKMESR1ESR2GAA

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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