SCHEMBL8637433

SCHEMBL8637433

C#Cc1c(C(N)=O)cccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.44
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP12 P39900 3/20 0.40
MMP13 P45452 3/20 0.40
MMP14 P50281 3/20 0.40
MMP16 P51512 3/20 0.40
MMP3 P08254 2/20 0.40
MMP1 P03956 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL364480 0.81 HTR6 (0.55) HTR6MMP2MMP9MMP8MMP12
SCHEMBL589633 0.78 HTR6 (0.53) HTR6MMP2MMP9MMP8MMP12
SCHEMBL7944156 0.76 HTR6 (0.46) HTR6ALDH1A1NPSR1TSHRHTT
SCHEMBL8632882 0.73 HTR6 (0.41) HTR6MMP2MMP9MMP8MMP12
SCHEMBL9252128 0.72 HTR6 (0.42) HTR6MMP2MMP9MMP8MMP12
SCHEMBL589337 0.72 KMT2A (0.53) HTR6MMP2MMP9MMP8MMP12
SCHEMBL4560020 0.72 BCAT2 (0.62) ALDH1A1TSHRIKBKBMETAP2KDM4E
SCHEMBL9252114 0.72 MMP2 (0.52) HTR6MMP2MMP9MMP8MMP12
SCHEMBL8637429 0.71 POLB (0.48) MMP2MMP9MMP8MMP12MMP13
SCHEMBL27492085 0.70 HTR6 (0.54) HTR6MMP2MMP9MMP8MMP12

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
EP-0748312-B1 BICYCLIC CARBAMATES AS LEUKOTRIENE D4 ANTAGONISTS PFIZER (US) 1998-07-22 EP claimed
EP-0748312-B1 BICYCLIC CARBAMATES AS LEUKOTRIENE D4 ANTAGONISTS PFIZER (US) 1998-07-22 EP disclosed