SCHEMBL3664571

SCHEMBL3664571

O=S(=O)(NC1CCN(Cc2ccncc2)C(I)C1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.39
UCHL1 P09936 2/20 0.39
SCN3A Q9NY46 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
LIPE Q05469 4/20 0.35
LIPG Q9Y5X9 1/20 0.35
F10 P00742 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR7 P34969 1/20 0.33
SCN8A Q9UQD0 1/20 0.33

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 0.91 USP30 (0.42) USP30UCHL1GPR119
SCHEMBL3664020 0.89 THRB (0.41) USP30UCHL1GPR119F10
SCHEMBL650729 0.88 LIPE (0.43) USP30UCHL1LIPEALDH1A1HTR7
SCHEMBL3661362 0.87 USP30 (0.40) USP30UCHL1
SCHEMBL3661407 0.84 SLC6A5 (0.42)
SCHEMBL648845 0.84 LIPE (0.45) USP30UCHL1GPR119LIPEALDH1A1
SCHEMBL4454172 0.82 USP30 (0.45) USP30UCHL1SCN3AGPR119LIPE
SCHEMBL12225951 0.82 PRKAA2 (0.46) USP30UCHL1LIPEHTR7SCN8A
SCHEMBL4401672 0.81 LIPE (0.44) USP30UCHL1GPR119LIPESCN8A
SCHEMBL10113339 0.81 ALDH1A1 (0.46) USP30UCHL1SCN3AGPR119LIPE

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