SCHEMBL28068085

SCHEMBL28068085

O=Cc1c[nH]c2cc(S(=O)(=O)c3cccc(F)c3)ncc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
NFE2L2 Q16236 6/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CYP2A6 P11509 2/20 0.38
IMPDH2 P12268 1/20 0.38
TDO2 P48775 4/20 0.37
IDO1 P14902 1/20 0.37
GRM5 P41594 1/20 0.37
HTR6 P50406 2/20 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
SCHEMBL28068048 0.78 HTR2A (0.46) HTR2ANFE2L2GRM5HTR6
SCHEMBL28068066 0.78 KMT2A (0.41) HTR2ANFE2L2HTR6
SCHEMBL29950684 0.72 CCNT1 (0.49) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL15331451 0.68 CYP2A6 (0.53) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL28068053 0.68 CCNT1 (0.49) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL29935646 0.68 TDO2 (0.64) CYP2A6IMPDH2TDO2IDO1
SCHEMBL187434 0.68 TDO2 (0.64) CYP2A6IMPDH2TDO2IDO1
SCHEMBL29950941 0.67 CCNT1 (0.44) CCNT1CDK9HASPINCYP2A6IMPDH2
SCHEMBL3098278 0.67 HTR2A (0.44) HTR2ANFE2L2HTR6
SCHEMBL28068102 0.67 HTR6 (0.45) CYP2A6IMPDH2HTR6

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