SCHEMBL9464475

SCHEMBL9464475

Cc1cc(N(C)S(C)(=O)=O)ccc1I

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 6/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
HTT P42858 1/20 0.35
MCOLN3 Q8TDD5 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
SCHEMBL9464374 0.80 MAPT (0.42) NPSR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL17790348 0.78 NPSR1 (0.41) NPSR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1007816 0.76 MAPT (0.47) ALDH1A1MAPT
SCHEMBL8558742 0.75 NPSR1 (0.40) NPSR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8488793 0.75 GRIN1 (0.40) NPSR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL18687304 0.75 ALDH1A1 (0.46) NPSR1ALDH1A1POLBMAPTMEN1
SCHEMBL1371755 0.74 NPSR1 (0.44) NPSR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL13345042 0.74 NPSR1 (0.44) NPSR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL9467120 0.74 NPSR1 (0.43) NPSR1ALDH1A1GAALMNAPOLB
SCHEMBL7130212 0.73 S100B (0.38) MAPT

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
US-5258399-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5236948-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed