SCHEMBL9844331

SCHEMBL9844331

NS(=O)(=O)CCc1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PTGES2 Q9H7Z7 4/20 0.40
TNF P01375 1/20 0.39
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 3/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP2D6 P10635 1/20 0.37
MGLL Q99685 1/20 0.37
RORC P51449 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
DRD1 P21728 1/20 0.36
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
RECQL P46063 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
SCHEMBL9844357 0.84 TNF (0.39) CA1CA2CA12CA9CA5A
SCHEMBL25353843 0.78 CA12 (0.64) CA1CA2CA12CA9CA5A
SCHEMBL9843826 0.78 TAAR1 (0.58) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL34463098 0.78 TAAR1 (0.58) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL9844000 0.77 SLC6A3 (0.42) CA1CA2CA12CA9CA5A
SCHEMBL3361287 0.74 SLC6A2 (0.41) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5428834 0.74 SLC6A2 (0.41) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL29474958 0.74 SLC6A2 (0.41) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL28797165 0.74 SLC6A2 (0.41) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL11974049 0.74 HTR1A (0.49) TNFSLC6A2SLC6A4KCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447645-A1 Aralkylesulfonyl ureas BAYER AG (DE) 1991-09-25 EP disclosed