SCHEMBL12492637

SCHEMBL12492637

COc1ccc(CNS(=O)(=O)CCc2cccc(Br)c2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ APLNR P35414 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PARP15 Q460N3 1/20 0.41
▸ LMNA P02545 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
SCHEMBL12494013 0.90 SMN1; SMN2 (0.50) HTR2AHTR2CAPLNRTP53SMN1; SMN2
SCHEMBL12493456 0.87 MMP8 (0.50) HTR2AHTR2CAPLNRTP53SMN1; SMN2
SCHEMBL12492811 0.87 ALDH1A1 (0.53) APLNRTP53SMN1; SMN2MEN1KMT2A
SCHEMBL12525710 0.81 APLNR (0.49) HTR2AHTR2CAPLNRTP53SMN1; SMN2
SCHEMBL12493897 0.79 APLNR (0.52) HTR2AHTR2CAPLNRTP53SMN1; SMN2
SCHEMBL12492849 0.79 APLNR (0.47) HTR2AHTR2CAPLNRTP53SMN1; SMN2
SCHEMBL12494016 0.78 ALDH1A1 (0.62) APLNRTP53SMN1; SMN2MEN1KMT2A
SCHEMBL28970344 0.78 APLNR (0.58) HTR2AHTR2CAPLNRTP53SMN1; SMN2
SCHEMBL12525627 0.78 MTNR1A (0.47) HTR2AHTR2CAPLNRTP53MEN1
SCHEMBL24558834 0.77 PTGES2 (0.48) HTR2AHTR2CAPLNRTP53SMN1; SMN2

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
Send feedback