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SCHEMBL24628229

SCHEMBL24628229

CN(c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LIMK2 P53671 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.46
▸ TGFBR1 P36897 5/20 0.46
▸ GPR119 Q8TDV5 5/20 0.45
▸ STS P08842 2/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ NPY2R P49146 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ SFRP1 Q8N474 2/20 0.41

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
SCHEMBL29772899 1.00 LIMK2 (0.48) LIMK2USP30TGFBR1GPR119STS
SCHEMBL30936639 0.95 LIMK2 (0.51) LIMK2TGFBR1GPR119STSMMP13
SCHEMBL29772863 0.88 NPY2R (0.52) LIMK2USP30GPR119NPY2R
SCHEMBL24628372 0.88 NPY2R (0.52) LIMK2USP30GPR119NPY2R
SCHEMBL24628795 0.86 MCOLN2 (0.42) NPY2R
SCHEMBL29772864 0.86 MCOLN2 (0.42) NPY2R
SCHEMBL23355023 0.81 LIMK2 (0.53) LIMK2TGFBR1GPR119STSMMP13
SCHEMBL24628788 0.81 MCOLN2 (0.46) —
SCHEMBL30936612 0.79 HTR2A (0.50) —
SCHEMBL23355043 0.78 MCOLN3 (0.50) LIMK2TGFBR1GPR119STS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150461-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2022-07-14 — — WO disclosed