SCHEMBL28068066

SCHEMBL28068066

O=Cc1c[nH]c2nc(S(=O)(=O)c3cccc(F)c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
NFE2L2 Q16236 4/20 0.38
HTR6 P50406 10/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
FEN1 P39748 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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) NFE2L2HTR6HTR2A
SCHEMBL3098278 0.70 HTR2A (0.44) NFE2L2HTR6HTR2AHTR2CHTR2B
SCHEMBL28068048 0.69 HTR2A (0.46) NFE2L2HTR6HTR2AHTR2CHTR2B
SCHEMBL29955200 0.67 KMT2A (0.49) KMT2A
SCHEMBL16494923 0.67 NFE2L2 (0.47) NFE2L2HTR6HTR2AHTR2CHTR2B
SCHEMBL775608 0.66 HTR2C (0.59) KMT2ANFE2L2HTR6HTR2AHTR2C
SCHEMBL5263827 0.65 KMT2A (0.54) KMT2A
SCHEMBL27470883 0.65 NFE2L2 (0.60) NFE2L2HTR6HTR2AHTR2CHTR2B
SCHEMBL27585408 0.65 AKR1B1 (0.69)
SCHEMBL4563072 0.64 HDAC1 (0.46) NFE2L2HTR6HTR2AHTR2CHTR2B

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