SCHEMBL6821207

SCHEMBL6821207

C[C@@]1(Oc2cc(NS(=O)(=O)c3cnc(Cl)c(Br)c3)ccc2C(F)(F)F)CCNC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ UTS2R Q9UKP6 8/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ S100A9 P06702 2/20 0.35
▸ EIF2AK3 Q9NZJ5 1/20 0.34

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
SCHEMBL6672793 0.90 ALDH1A1 (0.43) ALDH1A1HTTKMT2ALMNAPOLB
SCHEMBL6820834 0.88 UTS2R (0.36) UTS2RFFAR1FFAR4S100A9
SCHEMBL6825082 0.88 SCN9A (0.35) HTTUTS2RKMT2ALMNAPOLB
SCHEMBL6825188 0.87 KDM4E (0.41) ALDH1A1UTS2RLMNAFFAR1FFAR4
SCHEMBL6824709 0.87 UTS2R (0.36) ALDH1A1UTS2RFFAR1FFAR4
SCHEMBL6822583 0.86 PLA2G7 (0.38) HTTUTS2RKMT2ALMNAPOLB
SCHEMBL6824849 0.85 LMNA (0.39) ALDH1A1HTTUTS2RKMT2ALMNA
SCHEMBL6825132 0.85 FFAR4 (0.41) HTTUTS2RKMT2ALMNAPOLB
SCHEMBL6824643 0.85 UTS2R (0.35) ALDH1A1UTS2RKMT2ALMNAPOLB
SCHEMBL6820878 0.84 FFAR4 (0.52) UTS2RFFAR1FFAR4

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
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed
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