SCHEMBL25590650

SCHEMBL25590650

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.50
▸ ESR2 Q92731 4/20 0.50
▸ PKM P14618 1/20 0.49
▸ MOGAT2 Q3SYC2 3/20 0.41
▸ ABHD6 Q9BV23 3/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MGAT2 Q10469 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CTSL P07711 1/20 0.36

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
SCHEMBL30471234 1.00 ESR1 (0.50) ESR1ESR2PKMMOGAT2ABHD6
SCHEMBL25247343 0.92 MOGAT2 (0.44) ESR1ESR2PKMMOGAT2ABHD6
SCHEMBL30471164 0.92 MOGAT2 (0.44) ESR1ESR2PKMMOGAT2ABHD6
SCHEMBL30471047 0.89 GAA (0.43) PKMMOGAT2MEN1USP2ALDH1A1
SCHEMBL25215175 0.89 GAA (0.43) PKMMOGAT2MEN1USP2ALDH1A1
SCHEMBL25214054 0.88 ESR1 (0.50) ESR1ESR2PKMMOGAT2MEN1
SCHEMBL25266996 0.88 ESR1 (0.50) ESR1ESR2PKMMOGAT2MEN1
SCHEMBL30471107 0.88 ESR1 (0.50) ESR1ESR2PKMMOGAT2MEN1
SCHEMBL25214415 0.88 MOGAT2 (0.43) MOGAT2MEN1USP2ALDH1A1GAA
SCHEMBL30471003 0.88 MOGAT2 (0.43) MOGAT2MEN1USP2ALDH1A1GAA

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
Send feedback