SCHEMBL12492849

SCHEMBL12492849

COc1ccc(CNS(=O)(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MMP8 P22894 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ PTGES2 Q9H7Z7 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12525710 0.86 APLNR (0.49) APLNRTP53MMP8MMP12MMP13
SCHEMBL12493456 0.86 MMP8 (0.50) APLNRTP53MMP8MMP12MMP13
SCHEMBL12492811 0.86 ALDH1A1 (0.53) APLNRTP53MMP8MMP12MMP13
SCHEMBL15511710 0.81 TP53 (0.45) APLNRTP53MMP8MMP12MMP13
SCHEMBL28970344 0.79 APLNR (0.58) APLNRTP53HTR2AHTR2CALDH1A1
SCHEMBL12492637 0.79 HTR2A (0.46) APLNRTP53MMP8MMP12MMP13
SCHEMBL12493372 0.78 APLNR (0.48) APLNRTP53MEN1KMT2ANPC1
SCHEMBL28452492 0.77 APLNR (0.63) APLNRTP53MEN1KMT2AHTR2A
SCHEMBL16735749 0.77 APLNR (0.47) APLNRTP53MEN1KMT2AALDH1A1
SCHEMBL11300017 0.76 TP53 (0.55) APLNRTP53MEN1KMT2AHTR2A

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
EP-2683703-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2014-01-15 — — EP 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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