SCHEMBL3674154

SCHEMBL3674154

NS(=O)(=O)c1cccc(-c2cscn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.53
CA2 P00918 10/20 0.51
CA1 P00915 9/20 0.51
CA9 Q16790 9/20 0.51
CA12 O43570 5/20 0.51
CA4 P22748 3/20 0.51
CA7 P43166 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA3 P07451 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
CDK8 P49336 1/20 0.47
CA13 Q8N1Q1 3/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
TTK P33981 1/20 0.43
SCN9A Q15858 1/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43

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
SCHEMBL28844211 0.88 CDK8 (0.46) KAT6ACA2CA1CA9CA12
SCHEMBL28282439 0.80 CA2 (0.52) CA2CA1CA9CA12CA4
SCHEMBL1879703 0.75 TSHR (0.51) KAT6ASCN9AMAOA
SCHEMBL7389467 0.75 SCN9A (0.48) KAT6ASCN9A
SCHEMBL4934743 0.74 KAT6A (0.45) KAT6ASCN9A
SCHEMBL14075571 0.74 KAT6A (0.53) KAT6ACA2CA1CA9CA12
SCHEMBL28032548 0.73 CA2 (0.73) CA2CA1CA9CA12CA4
Hydrochloric Acid SCHEMBL10431116 0.73 KAT6A (0.52) KAT6ACA2CA1CA9CA12
SCHEMBL5322690 0.73 RAB9A (0.54) KAT6ASCN9AMAOB
SCHEMBL31287798 0.72 CA2 (0.64) KAT6ACA2CA1CA9CA12

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-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP claimed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 WO claimed