SCHEMBL14845327

SCHEMBL14845327

Cc1cc(CN(C2CCCC(C(F)(F)F)C2)S(=O)(=O)c2ccc(Cl)nc2)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TRPM8 Q7Z2W7 10/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38
▸ PSENEN Q9NZ42 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ PTPN22 Q9Y2R2 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL14842767 0.88 MEN1 (0.55) MEN1KMT2ATRPM8ALDH1A1PSEN1
SCHEMBL14845326 0.83 PSEN1 (0.43) MEN1KMT2ATRPM8ALDH1A1PSEN1
SCHEMBL15969576 0.79 PSEN1 (0.44) MEN1KMT2ATRPM8PSEN1PSEN2
SCHEMBL14854046 0.79 PSEN1 (0.44) MEN1KMT2ATRPM8PSEN1PSEN2
SCHEMBL14842546 0.77 MEN1 (0.61) MEN1KMT2ATRPM8PSEN1PSEN2
SCHEMBL15981222 0.74 MEN1 (0.56) MEN1KMT2ATRPM8ALDH1A1PSEN1
SCHEMBL14842820 0.72 PSEN1 (0.53) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL14853968 0.69 MEN1 (0.50) MEN1KMT2ATRPM8ALDH1A1PSEN1
SCHEMBL14842530 0.69 MEN1 (0.53) MEN1KMT2ATRPM8ALDH1A1PSEN1
SCHEMBL2567557 0.68 MAPT (0.48) MEN1KMT2AALDH1A1PSEN1PSEN2

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-2013052700-A1 NOVEL SULFONAMIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-04-11 — — WO disclosed
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