SCHEMBL24310519

SCHEMBL24310519

Cc1cccc(C)c1-c1cc(S(C)(=O)=O)nc(NS(=O)(=O)c2cccc(NO)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ PKM P14618 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PCTP Q9UKL6 1/20 0.38
▸ STARD10 Q9Y365 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SRC P12931 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 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
SCHEMBL24309275 0.86 TSHR (0.55) TSHRPKMLMNASMN1; SMN2GAA
SCHEMBL24310518 0.85 TSHR (0.40) TSHRPKMLMNAPCTPSTARD10
SCHEMBL24298738 0.81 LMNA (0.56) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL24309349 0.77 PIK3CG (0.42) TSHRPKMSMN1; SMN2GAAPIK3CD
SCHEMBL26833740 0.74 KMT2A (0.47) TSHRLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL26822143 0.72 CYTH2 (0.45) TSHRPKMPCTPSTARD10SMN1; SMN2
SCHEMBL24309485 0.71 MAPT (0.63) TSHRPKMLMNASMN1; SMN2GAA
SCHEMBL26849718 0.71 HTR6 (0.44) TSHRPKMLMNASMN1; SMN2GAA
SCHEMBL29566518 0.71 LMNA (0.54) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL29566954 0.71 PKM (0.50) PKMLMNAPCTPSTARD10GAA

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-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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