SCHEMBL3661362

SCHEMBL3661362

N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)nc3)CC2I)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.40
UCHL1 P09936 2/20 0.40
CCR6 P51684 2/20 0.37
CCR9 P51686 1/20 0.37
THRB P10828 1/20 0.36
MET P08581 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SFRP1 Q8N474 1/20 0.34

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
SCHEMBL3662714 0.92 USP30 (0.42) USP30UCHL1CCR6THRB
SCHEMBL647428 0.90 THRB (0.47) USP30UCHL1CCR6CCR9THRB
SCHEMBL3664571 0.87 USP30 (0.39) USP30UCHL1
SCHEMBL3664020 0.85 THRB (0.41) USP30UCHL1THRB
SCHEMBL647468 0.81 THRB (0.51) USP30UCHL1CCR6THRB
SCHEMBL648221 0.81 HTR1A (0.46)
SCHEMBL4405702 0.81 THRB (0.49) USP30UCHL1THRB
SCHEMBL3667019 0.78 PRKAA2 (0.49)
SCHEMBL648845 0.78 LIPE (0.45) USP30UCHL1THRBKCNH2
SCHEMBL4454172 0.77 USP30 (0.45) USP30UCHL1

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-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed