SCHEMBL3664020

SCHEMBL3664020

N#Cc1ccc(N2CCC(Oc3ccc(S(=O)(=O)NC4CCN(Cc5ccncc5)C(I)C4)cn3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
PRKAA2 P54646 4/20 0.39
USP30 Q70CQ3 4/20 0.38
UCHL1 P09936 3/20 0.38
DPP4 P27487 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
F10 P00742 1/20 0.35
CYP3A4 P08684 1/20 0.35
IDH1 O75874 1/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 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) THRBPRKAA2USP30UCHL1DPP4
SCHEMBL3664571 0.89 USP30 (0.39) USP30UCHL1GPR119F10
SCHEMBL648681 0.89 THRB (0.54) THRBPRKAA2USP30UCHL1DPP4
SCHEMBL3661362 0.85 USP30 (0.40) THRBUSP30UCHL1
SCHEMBL648608 0.83 THRB (0.59) THRBPRKAA2USP30UCHL1DPP4
SCHEMBL4401696 0.80 THRB (0.54) THRBPRKAA2GPR119CYP3A4
SCHEMBL647468 0.80 THRB (0.51) THRBPRKAA2USP30UCHL1CYP3A4
SCHEMBL4405690 0.78 SCN8A (0.43) THRBPRKAA2CYP3A4
SCHEMBL650729 0.77 LIPE (0.43) THRBPRKAA2USP30UCHL1
SCHEMBL3667019 0.77 PRKAA2 (0.49) PRKAA2CYP3A4

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