SCHEMBL6681646

SCHEMBL6681646

NS(=O)(=O)c1ccc(-c2ccncc2)cc1-c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
ENPP3 O14638 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CHUK O15111 2/20 0.38
CHEK2 O96017 1/20 0.38
IKBKB O14920 1/20 0.38
IKBKE Q14164 1/20 0.38
LRRK2 Q5S007 5/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL6623864 0.89 PDPK1 (0.49) ENPP3CA2CA9CHEK2LRRK2
SCHEMBL28816427 0.89 LOXL2 (0.45) ENPP3CA2CA9CHEK2LRRK2
SCHEMBL6624144 0.88 PTPRC (0.43) ENPP3CA2CA9CHEK2IKBKB
SCHEMBL20899928 0.84 SLC6A11 (0.42) ENPP3CA2CA9CHEK2LOXL2
SCHEMBL30130504 0.80 ALDH1A1 (0.39) ENPP3CA2CA9CHEK2ADORA2A
SCHEMBL3838065 0.80 ALDH1A1 (0.39) ENPP3CA2CA9CHEK2ADORA2A
SCHEMBL20899966 0.78 CA2 (0.43) ENPP3CA2CA9ADORA1
SCHEMBL6681642 0.76 LRRK2 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29608350 0.75 ADORA2A (0.47) ENPP3CA2CA9ADORA2AADORA1
SCHEMBL1093747 0.75 ADORA2A (0.47) ENPP3CA2CA9ADORA2AADORA1

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-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed