SCHEMBL28068048

SCHEMBL28068048

O=Cc1c[nH]c2cc(S(=O)(=O)c3cccc(F)c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
HTR6 P50406 2/20 0.44
NFE2L2 Q16236 10/20 0.40
GRM5 P41594 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALK Q9UM73 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
SCHEMBL28068085 0.78 HTR2A (0.40) HTR2AHTR6NFE2L2GRM5
SCHEMBL28047883 0.75 SNCA (0.41) HTR2CHTR2B
SCHEMBL29953488 0.74 CCNT1 (0.38)
SCHEMBL2198627 0.71 HTR2A (0.60) HTR2AHTR6NFE2L2GRM5KCNH2
SCHEMBL19327019 0.70 HTR2A (0.62) HTR2AHTR6NFE2L2GRM5KCNH2
SCHEMBL28068066 0.69 KMT2A (0.41) HTR2AHTR6NFE2L2HTR2CHTR2B
SCHEMBL775608 0.69 HTR2C (0.59) HTR2AHTR6NFE2L2KCNH2HTR2C
SCHEMBL2198404 0.69 HTR2A (0.60) HTR2AHTR6NFE2L2GRM5KCNH2
SCHEMBL3208018 0.69 HTR2A (0.60) HTR2AHTR6NFE2L2GRM5KCNH2
SCHEMBL4233311 0.68 HTR2A (0.45) HTR2AHTR6NFE2L2GRM5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN claimed
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN disclosed