SCHEMBL21682157

SCHEMBL21682157

O=S(=O)(c1nc2ccccc2s1)C(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.69
▸ PSMB5 P28074 1/20 0.69
▸ CA12 O43570 2/20 0.62
▸ CA1 P00915 2/20 0.62
▸ CA2 P00918 2/20 0.62
▸ CA7 P43166 2/20 0.62
▸ CA4 P22748 1/20 0.62
▸ CA14 Q9ULX7 1/20 0.62
▸ ALDH1A1 P00352 8/20 0.56
▸ MAPT P10636 5/20 0.56
▸ LMNA P02545 4/20 0.56
▸ HTT P42858 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ AKR1B1 P15121 1/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL31123708 1.00 PSMB8 (0.69) PSMB8PSMB5CA12CA1CA2
SCHEMBL7635377 0.87 PSMB8 (0.65) PSMB8PSMB5CA12CA1CA2
SCHEMBL2711265 0.83 PSMB8 (0.75) PSMB8PSMB5CA12CA1CA2
SCHEMBL10047096 0.83 PSMB8 (0.64) PSMB8PSMB5CA12CA1CA2
SCHEMBL30817868 0.82 PSMB8 (1.00) PSMB8PSMB5CA12CA1CA2
SCHEMBL29164335 0.82 PSMB8 (1.00) PSMB8PSMB5CA12CA1CA2
SCHEMBL24214020 0.81 PSMB8 (0.56) PSMB8PSMB5CA12CA1CA2
SCHEMBL11782646 0.79 PSMB8 (0.68) PSMB8PSMB5CA12CA1CA2
SCHEMBL329577 0.78 PSMB8 (0.72) PSMB8PSMB5CA12CA1CA2
SCHEMBL8890882 0.78 NPC1 (0.45) PSMB8PSMB5CA12CA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 — — US disclosed
CN-108164475-B Method for catalytic synthesis of difluoromethyl-substituted linear aryl hetero-ketone 南京工业大学 2022-03-11 — — CN disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
EP-3833355-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-16 — — EP disclosed
WO-2020033288-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 — — WO disclosed
CN-108164475-A Method for catalytic synthesis of difluoromethyl-substituted linear aryl hetero-ketone 南京工业大学 2018-06-15 — — CN disclosed
CN-104356032-A Preparation method for fluorine-containing sulfinate SHANGHAI INST ORGANIC CHEM 2015-02-18 — — CN disclosed
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