SCHEMBL9534604

SCHEMBL9534604

CSc1ccc(N)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK14 Q16539 10/20 0.39
MAPK13 O15264 1/20 0.39
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PDE7A Q13946 1/20 0.35
SLC6A3 Q01959 1/20 0.35
USP10 Q14694 1/20 0.35
USP7 Q93009 1/20 0.35
USP47 Q96K76 1/20 0.35

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
SCHEMBL9535630 0.76 USP7 (0.53) ALDH1A1MAPK14MAPK13SLC6A4MAPT
SCHEMBL576377 0.75 ALDH1A1 (0.46) ALDH1A1MAPK14MAPK13USP10USP7
SCHEMBL30452220 0.75 ALDH1A1 (0.46) ALDH1A1MAPK14MAPK13USP10USP7
SCHEMBL1339061 0.75 SLC6A4 (0.51) ALDH1A1SLC6A2SLC6A4MAPTPDE7A
SCHEMBL9535502 0.75 MAPT (0.46) ALDH1A1MAPK14KDM4EMAPTHPGD
SCHEMBL9538632 0.75 G6PD (0.58) ALDH1A1SLC6A2SLC6A4
SCHEMBL9535423 0.74 ALDH1A1 (0.43) ALDH1A1MAPK14SLC6A2SLC6A4KDM4E
SCHEMBL9535342 0.74 PTGS2 (0.57) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL9180206 0.73 NPC1 (0.41) ALDH1A1SLC6A2SLC6A4KDM4EMAPT
SCHEMBL9534376 0.73 MAPK14 (0.46) ALDH1A1MAPK14KDM4EMAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed