SCHEMBL6676986

SCHEMBL6676986

C[C@@]1(Oc2cc(NS(=O)(=O)c3cnc(Oc4cc(F)cc(F)c4)c(Br)c3)ccc2Cl)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 3/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ EPAS1 Q99814 1/20 0.33
▸ SLC22A12 Q96S37 5/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32

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
SCHEMBL6674003 0.92 S100A9 (0.37) S100A9MEN1KMT2AALDH1A1LMNA
SCHEMBL6679728 0.91 S100A9 (0.37) S100A9MEN1KMT2AALDH1A1HPGD
SCHEMBL6678341 0.90 HPGD (0.41) S100A9MEN1KMT2AALDH1A1HPGD
SCHEMBL6675715 0.88 LMNA (0.39) S100A9MEN1KMT2AALDH1A1HPGD
SCHEMBL6678442 0.87 S100A9 (0.37) S100A9MEN1KMT2AALDH1A1HPGD
SCHEMBL6822583 0.85 PLA2G7 (0.38) S100A9MEN1KMT2ALMNAPOLB
SCHEMBL6672793 0.85 ALDH1A1 (0.43) S100A9MEN1KMT2AALDH1A1LMNA
SCHEMBL6825082 0.85 SCN9A (0.35) S100A9MEN1KMT2ALMNAPOLB
SCHEMBL6824849 0.81 LMNA (0.39) S100A9MEN1KMT2AALDH1A1LMNA
SCHEMBL6825132 0.81 FFAR4 (0.41) S100A9MEN1KMT2AHPGDLMNA

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-2004043463-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO claimed
WO-2004043463-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed
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