SCHEMBL16735749

SCHEMBL16735749

COc1ccc(CNS(=O)(=O)C(C)c2ccc(C(C)(C)C)cc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GRIA4 P48058 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 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
SCHEMBL16735731 0.86 APLNR (0.49) APLNRTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL12493421 0.86 APLNR (0.51) APLNRTP53ALDH1A1MEN1KMT2A
SCHEMBL28923208 0.80 APLNR (0.59) APLNRTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL12699988 0.79 APLNR (0.46) APLNRTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL12493372 0.78 APLNR (0.48) APLNRTP53ALDH1A1MEN1KMT2A
SCHEMBL12492849 0.77 APLNR (0.47) APLNRTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL12496162 0.75 TP53 (0.44) APLNRTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL12493472 0.74 MEN1 (0.49) APLNRTP53ALDH1A1MEN1KMT2A
SCHEMBL21827126 0.73 APLNR (0.54) APLNRTP53ALDH1A1MEN1KMT2A
SCHEMBL1530735 0.73 APLNR (0.65) APLNRTP53ALDH1A1SMN1; SMN2MEN1

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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