SCHEMBL30901133

SCHEMBL30901133

O=C(Cl)c1cccc(S(=O)(=O)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ TSHR P16473 3/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 5/20 0.40
▸ HTT P42858 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ F2 P00734 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ IL1RN P18510 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37

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
SCHEMBL30901132 1.00 CA2 (0.46) CA2ALDH1A1TSHRMEN1KMT2A
SCHEMBL6517138 1.00 CA2 (0.46) CA2ALDH1A1TSHRMEN1KMT2A
SCHEMBL726937 0.84 TSHR (0.47) CA2ALDH1A1TSHRKMT2ALMNA
SCHEMBL35218 0.82 ALDH1A1 (0.46) CA2ALDH1A1TSHRMEN1KMT2A
SCHEMBL6724747 0.82 TSHR (0.52) CA2ALDH1A1TSHRLMNAHTT
SCHEMBL30901134 0.82 F2 (0.57) CA2ALDH1A1TSHRKMT2ALMNA
SCHEMBL1436244 0.82 F2 (0.57) CA2ALDH1A1TSHRKMT2ALMNA
SCHEMBL30525020 0.82 ALDH1A1 (0.46) CA2ALDH1A1TSHRMEN1KMT2A
SCHEMBL4093243 0.81 ALDH1A1 (0.55) CA2ALDH1A1MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL15575570 0.81 ALDH1A1 (0.45) CA2ALDH1A1TSHRMEN1KMT2A

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
CN-111689929-B Sulfur fluoride (VI) compound and preparation method thereof 斯克里普斯研究所 2024-05-31 — — CN disclosed
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