SCHEMBL1379816

SCHEMBL1379816

COc1ccc(S(=O)(=O)N(OC(=O)C(F)(F)F)c2cc3cccnc3c(N3CCNCC3)n2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR6 P50406 7/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BMPR2 Q13873 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
SCHEMBL1380517 0.87 L3MBTL1 (0.37) HTR6HTR7KDM4EHSD17B10SCN9A
SCHEMBL1381623 0.86 HTR6 (0.41) ALDH1A1GAAHTR6TP53HTR7
SCHEMBL1380633 0.82 HSD11B1 (0.41) HTR6LMNAHTR7RAD52UBE2N
SCHEMBL1380174 0.80 RAD52 (0.36) HTR6HTR7RAD52UBE2NL3MBTL1
Trifluoroacetic Acid SCHEMBL1379813 0.78 HTR6 (0.47) ALDH1A1GAAHTR6MAPK1KDM4E
SCHEMBL3627476 0.74 MEN1 (0.53) ALDH1A1GAAHTR6MAPK1HTR7
SCHEMBL1613495 0.71 ABCB1 (0.38) HTR6HTR7MEN1KMT2A
SCHEMBL9106472 0.69 HTR6 (0.46) HTR6
SCHEMBL6637840 0.66 HTR2C (0.51) HTR6
SCHEMBL616801 0.66 HTR6 (0.41) ALDH1A1HTR6LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 — — 2011-07-20 — — JP claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 — — EP claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 — — WO claimed
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