SCHEMBL16235134

SCHEMBL16235134

CS(=O)(=O)N(c1cc(Cl)cc(Cl)c1)c1cnc(C(F)(F)F)cc1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATF1 P18846 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ S100A9 P06702 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MINK1 Q8N4C8 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16235602 0.84 ALDH1A1 (0.34) PTGS2MAP4K4PIK3CAKCNH2MINK1
SCHEMBL16235728 0.74 ATF1 (0.39) ATF1NFKB1S100A9PTGS2LMNA
SCHEMBL16235405 0.74 GPBAR1 (0.37) PTGS2LMNAALDH1A1
SCHEMBL16235142 0.71 GPBAR1 (0.34) S100A9PTGS2LMNAALDH1A1
SCHEMBL16235463 0.70 S100A9 (0.48) S100A9MAP4K4MINK1
SCHEMBL16235321 0.69 ACLY (0.33) ALDH1A1
SCHEMBL16235683 0.68 S100A9 (0.40) S100A9MAP4K4MINK1ALDH1A1
SCHEMBL16235260 0.67 S100A9 (0.37) S100A9
SCHEMBL16235458 0.65 ATF1 (0.35) ATF1NFKB1LMNAHTTL3MBTL1
SCHEMBL16235135 0.65 ACLY (0.42) S100A9LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925743-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2015-10-07 — — EP claimed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 — — WO claimed
EP-2925743-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2015-10-07 — — EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 — — WO disclosed
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