SCHEMBL6824643

SCHEMBL6824643

C[C@@]1(Oc2cc(NS(=O)(=O)c3cnc(Sc4cccc(Cl)c4Cl)c(Br)c3)ccc2C(F)(F)F)CCNC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 8/20 0.35
▸ PTPN11 Q06124 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SCN8A Q9UQD0 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ P2RY4 P51582 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
SCHEMBL6680164 0.92 PTPN11 (0.34) UTS2RPTPN11KCNH2MEN1KMT2A
SCHEMBL6824709 0.87 UTS2R (0.36) UTS2RPPARGALDH1A1
SCHEMBL6818539 0.87 UTS2R (0.36) UTS2RKMT2A
SCHEMBL6823530 0.86 BRAF (0.38) MEN1ALPLKMT2AALDH1A1LMNA
SCHEMBL6820791 0.86 FFAR4 (0.36) —
SCHEMBL6822164 0.85 UTS2R (0.38) UTS2R
SCHEMBL6821207 0.85 ALDH1A1 (0.39) UTS2RKMT2AALDH1A1LMNAPOLB
SCHEMBL6821545 0.83 UTS2R (0.42) UTS2RMEN1KMT2ALMNA
SCHEMBL6823531 0.83 UTS2R (0.34) UTS2R
SCHEMBL6821099 0.82 UTS2R (0.33) UTS2R

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
WO-2004043948-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO claimed
WO-2004043948-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed
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