SCHEMBL12700064

SCHEMBL12700064

COc1ccc(CNS(=O)(=O)Cc2ccc(COS(C)(=O)=O)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL12493420 0.85 ALDH1A1 (0.55) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL12494088 0.84 APLNR (0.52) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL12493897 0.84 APLNR (0.52) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL12494016 0.84 ALDH1A1 (0.62) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL12492802 0.82 ALDH1A1 (0.54) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL12493991 0.81 APLNR (0.49) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL12494428 0.81 APLNR (0.49) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL12493486 0.81 L3MBTL1 (0.54) APLNRTP53ALDH1A1MAPK1PTK2B
SCHEMBL28452492 0.79 APLNR (0.63) APLNRTP53ALDH1A1MEN1KMT2A
SCHEMBL8688214 0.79 APLNR (0.53) APLNRTP53ALDH1A1MAPK1MEN1

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
US-8895547-B2 Substituted phenyl-oxathiazine derivatives, method for producing them, drugs containing said compounds and the use thereof SANOFI (FR) 2014-11-25 — — US disclosed
WO-2012120057-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2012-09-13 — — WO disclosed
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