SCHEMBL28829310

SCHEMBL28829310

O=CNc1c[nH]c2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AKR1B1 P15121 1/20 0.40
NAMPT P43490 3/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 1/20 0.38
CCR6 P51684 1/20 0.38
FEN1 P39748 1/20 0.38
CLK1 P49759 1/20 0.37
MEN1 O00255 1/20 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
SCHEMBL28068102 0.82 HTR6 (0.45) HTR6CA1CA2MMP1MMP2
SCHEMBL28068118 0.78 HTR6 (0.45) HTR6CA1CA2MMP1MMP2
SCHEMBL30859041 0.72 CA1 (0.65) HTR6CA1CA2MMP1MMP2
SCHEMBL8863056 0.72 CA1 (0.65) HTR6CA1CA2MMP1MMP2
Hydrochloric Acid SCHEMBL11261755 0.71 CA1 (0.62) HTR6CA1CA2MMP1MMP2
SCHEMBL28207032 0.70 ESR1 (0.54) HTR6CA1CA2MMP1MMP2
SCHEMBL20758153 0.70 CA1 (0.57) HTR6CA1CA2MMP1MMP2
SCHEMBL28068077 0.69 AKR1B1 (0.45) HTR6CA1CA2MMP1MMP2
SCHEMBL7697167 0.68 CA1 (0.59) HTR6CA1CA2MMP1MMP2
SCHEMBL15535303 0.67 CA1 (0.54) HTR6CA1CA2MMP1MMP2

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