SCHEMBL16235078

SCHEMBL16235078

COc1cc(SC)nnc1N(c1ccccc1Cl)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ACLY P53396 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL16235761 0.83 PTGS2 (0.36) POLBMAPK1GAAPTGS2MEN1
SCHEMBL16234965 0.68 ESR1 (0.36) POLBGAAMEN1KMT2AALDH1A1
SCHEMBL16235054 0.67 HTT (0.31) MAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL16235080 0.66 SMN1; SMN2 (0.45) MAPK1GAAKMT2AALDH1A1MAPT
SCHEMBL16235076 0.66 TSHR (0.49) POLBMAPK1ALDH1A1MAPTLMNA
SCHEMBL30602424 0.64 MAPT (0.36) MAPK1GAAMEN1KMT2AALDH1A1
SCHEMBL29131000 0.64 MAPT (0.36) MAPK1GAAMEN1KMT2AALDH1A1
SCHEMBL16235789 0.64 ALDH1A1 (0.33) ALDH1A1MAPTLMNAHTT
SCHEMBL529036 0.61 NPSR1 (0.41) POLBGAAMEN1KMT2AMAPT
SCHEMBL16234970 0.59 ALDH1A1 (0.31) MEN1KMT2AALDH1A1MAPT

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-2925743-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2015-10-07 — — EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 — — WO disclosed
Send feedback