SCHEMBL3662714

SCHEMBL3662714

N#Cc1ccc(CN2CCC(NS(=O)(=O)c3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)nc3)CC2I)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.42
UCHL1 P09936 2/20 0.42
CCR6 P51684 2/20 0.41
THRB P10828 1/20 0.39
PRKAA2 P54646 2/20 0.38
CYP3A4 P08684 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MDM2 Q00987 1/20 0.35
RORC P51449 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL3661362 0.92 USP30 (0.40) USP30UCHL1CCR6THRB
SCHEMBL3664020 0.92 THRB (0.41) USP30UCHL1THRBPRKAA2CYP3A4
SCHEMBL3664571 0.91 USP30 (0.39) USP30UCHL1GPR119
SCHEMBL647468 0.89 THRB (0.51) USP30UCHL1CCR6THRBPRKAA2
SCHEMBL3667019 0.85 PRKAA2 (0.49) PRKAA2CYP3A4RORC
SCHEMBL648845 0.83 LIPE (0.45) USP30UCHL1THRBPRKAA2CYP3A4
SCHEMBL647428 0.81 THRB (0.47) USP30UCHL1CCR6THRB
SCHEMBL648681 0.80 THRB (0.54) USP30UCHL1THRBPRKAA2CYP3A4
SCHEMBL12225951 0.80 PRKAA2 (0.46) USP30UCHL1PRKAA2
SCHEMBL4401696 0.80 THRB (0.54) CCR6THRBPRKAA2CYP3A4GPR119

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