SCHEMBL28140285

SCHEMBL28140285

CCCCCCCCCCCCS(=O)(=O)C(C)C#N

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.53
FAAH O00519 4/20 0.43
CES1 P23141 4/20 0.37
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
CES2 O00748 1/20 0.33

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
SCHEMBL3260166 0.98 CA2 (0.50) CA2FAAHCES1TSHRTP53
SCHEMBL6050006 0.82 CA2 (0.50) CA2FAAHCES1TSHRCES2
SCHEMBL17138111 0.77 CA2 (0.64) CA2FAAHCES1TP53
SCHEMBL1911477 0.76 CA2 (0.63) CA2FAAHCES1TSHRTP53
SCHEMBL27050891 0.76 CA2 (0.63) CA2FAAHCES1TSHRTP53
SCHEMBL11101496 0.76 CA2 (0.63) CA2FAAHCES1TSHRTP53
SCHEMBL14519882 0.76 CA2 (0.63) CA2FAAHCES1TSHRTP53
SCHEMBL25247075 0.75
SCHEMBL5505478 0.73 CA2 (0.59) CA2FAAHCES1TP53CES2
SCHEMBL13623537 0.73 CA2 (0.59) CA2FAAHCES1TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106748988-B A kind of method that supercritical ultrasonics technology synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN claimed
CN-106866515-B A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2019-05-28 CN claimed
CN-106866514-B A kind of method that Aqueous phase synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN claimed
CN-106866515-A A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2017-06-20 CN claimed
CN-106866514-A A kind of method of the Aqueous phase synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-06-20 CN claimed
CN-106831551-A A kind of method of the ionic liquid method synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-06-13 CN claimed
CN-106748988-A A kind of method of the supercritical ultrasonics technology synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-05-31 CN claimed
CN-106518757-A Method for synthesizing 2-halo-3-substited alkylsulfonyl pyridine and intermediate compound thereof through microwave method 山东师范大学 2017-03-22 CN claimed
CN-106831551-B A kind of method that ionic liquid method synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-09-24 CN disclosed
CN-106866515-B A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2019-05-28 CN disclosed
CN-106866515-A A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2017-06-20 CN disclosed
CN-106831551-A A kind of method of the ionic liquid method synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-06-13 CN disclosed