SCHEMBL16735731

SCHEMBL16735731

COc1ccc(CNS(=O)(=O)C(C)c2ccc(Br)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
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL12493421 0.88 APLNR (0.51) APLNRTP53MEN1KMT2AALDH1A1
SCHEMBL12699988 0.87 APLNR (0.46) APLNRTP53HTR2AHTR2CMEN1
SCHEMBL16735749 0.86 APLNR (0.47) APLNRTP53MEN1KMT2AMAPT
SCHEMBL12496162 0.83 TP53 (0.44) APLNRTP53HTR2AHTR2CMEN1
SCHEMBL28923208 0.82 APLNR (0.59) APLNRTP53HTR2AHTR2CMEN1
SCHEMBL12493897 0.79 APLNR (0.52) APLNRTP53HTR2AHTR2CMEN1
SCHEMBL12493456 0.76 MMP8 (0.50) APLNRTP53HTR2AHTR2CMEN1
SCHEMBL30714247 0.76 APLNR (0.49) APLNRTP53HTR2AHTR2CMEN1
SCHEMBL1530735 0.75 APLNR (0.65) APLNRTP53HTR2AHTR2CMEN1
SCHEMBL12493085 0.74 TP53 (0.42) APLNRTP53HTR2AHTR2CMEN1

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
EP-2683703-B1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI SA (FR) 2015-05-27 — — EP disclosed
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