SCHEMBL6678442

SCHEMBL6678442

C[C@@]1(Oc2cc(NS(=O)(=O)c3cnc(Oc4cccc(Cl)c4Cl)c(Br)c3)ccc2Cl)CCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 3/20 0.37
▸ SLC22A12 Q96S37 1/20 0.35
▸ PTPN11 Q06124 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ CCR2 P41597 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SCN8A Q9UQD0 2/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CCR4 P51679 1/20 0.33

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
SCHEMBL6679728 0.88 S100A9 (0.37) S100A9SLC22A12HTTCCR2MEN1
SCHEMBL6674003 0.88 S100A9 (0.37) S100A9HTTCCR2MEN1KMT2A
SCHEMBL6678341 0.87 HPGD (0.41) S100A9HTTMEN1KMT2ALMNA
SCHEMBL6676986 0.87 S100A9 (0.36) S100A9SLC22A12HTTMEN1KMT2A
SCHEMBL6672793 0.86 ALDH1A1 (0.43) S100A9HTTMEN1KMT2ALMNA
SCHEMBL6680164 0.85 PTPN11 (0.34) S100A9PTPN11HTTMEN1KMT2A
SCHEMBL6675715 0.85 LMNA (0.39) S100A9SLC22A12HTTMEN1KMT2A
SCHEMBL6822583 0.81 PLA2G7 (0.38) S100A9HTTMEN1KMT2ALMNA
SCHEMBL6825082 0.79 SCN9A (0.35) S100A9HTTMEN1KMT2ALMNA
SCHEMBL6674472 0.79 HTR6 (0.34) S100A9HTTMEN1KMT2ALMNA

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