SCHEMBL13353678

SCHEMBL13353678

COc1ccc(S(=O)(=O)N2CCOC23CCN([S+]([O-])c2ccc(C(C)=O)cc2)CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.43
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL12673411 0.93 ALDH1A1 (0.48) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12622095 0.86 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL12621865 0.86 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL12673414 0.82 L3MBTL1 (0.46) L3MBTL1ALDH1A1HCRTR1HCRTR2MAPK1
SCHEMBL12662903 0.81 L3MBTL1 (0.51) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL20019643 0.81 ALDH1A1 (0.34) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12655726 0.81 L3MBTL1 (0.60) L3MBTL1ALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL21202627 0.78 L3MBTL1 (0.53) L3MBTL1ALDH1A1HTT
SCHEMBL12623925 0.78 L3MBTL1 (0.67) L3MBTL1ALDH1A1HCRTR1HCRTR2MMP1
SCHEMBL12621830 0.78 ALDH1A1 (0.59) L3MBTL1ALDH1A1HCRTR1HCRTR2

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-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO disclosed
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