SCHEMBL28936720

SCHEMBL28936720

[CH2]c1cc(Br)n(S(=O)(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
PPME1 Q9Y570 3/20 0.46
HTR6 P50406 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
FEN1 P39748 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
PGR P06401 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C1 Q04828 1/20 0.37
CCKBR P32239 1/20 0.36
KAT6A Q92794 1/20 0.36
GLO1 Q04760 1/20 0.36
SLC40A1 Q9NP59 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
SCHEMBL28711241 0.84 HTR6 (0.40) CTSGCMA1PPME1HTR6CYP11B1
SCHEMBL28700640 0.80 HTR6 (0.44) HTR6
SCHEMBL28716232 0.80 HTR6 (0.51) HTR6
SCHEMBL28715521 0.80 PKM (0.42) HTR6FEN1AKR1C3
SCHEMBL28719532 0.77 HTR6 (0.47) HTR6
SCHEMBL28715560 0.77 HTR6 (0.49) CTSGCMA1HTR6
SCHEMBL28649362 0.73 NAPRT (0.42) HTR6CYP11B1CYP11B2
SCHEMBL28715559 0.71 PKM (0.45) HTR6
SCHEMBL8220526 0.70 AKR1C3 (0.50) CTSGCMA1CYP11B1CYP11B2AKR1C3
SCHEMBL31754845 0.70 RORC (0.42) PPME1HTR6

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-114105962-A Compound containing sulfonamide structure, preparation method and application thereof, and pharmaceutical composition and application thereof 南京烁慧医药科技有限公司 2022-03-01 CN disclosed