SCHEMBL28153103

SCHEMBL28153103

CCS(=O)(=O)CC.N#CCc1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
PKM P14618 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DAO P14920 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
ENPP2 Q13822 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN1 P18031 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL435376 0.86 HTT (0.41) RIPK1MAOAMAOBDAOALDH1A1
SCHEMBL28154316 0.77 KDM4E (0.34) PKM
SCHEMBL14378231 0.77 RIPK1 (0.41) RIPK1MAOAMAOBDAOALDH1A1
SCHEMBL28141087 0.77 PTPRC (0.37) PKMALDH1A1HTTENPP2FFAR1
SCHEMBL28140289 0.77 IDO1 (0.40) ALDH1A1LMNAMAPT
SCHEMBL28274696 0.74 SMN1; SMN2 (0.49) PKMALDH1A1HTTLMNAMAPT
SCHEMBL28140280 0.74 KDM4E (0.38) PKMALDH1A1HTTNPC1LMNA
SCHEMBL23665824 0.73 ENPP2 (0.37) PKMALDH1A1ENPP2FFAR1FFAR4
SCHEMBL8282785 0.73 DAO (0.41) DAOALDH1A1HTTENPP2FFAR1
SCHEMBL28141085 0.73 KMT2A (0.41) PKMMAOBALDH1A1ENPP2NPC1

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 7 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-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-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-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