SCHEMBL23620169

SCHEMBL23620169

Cc1ccc(SNCN(C)OCC(C)(C)CCNC(=O)C2CCN(C(=O)/C(C#N)=C/c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.32
▸ USP2 O75604 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL23620265 0.80 SLC16A3 (0.38) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL19506952 0.72 SLC16A3 (0.45) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL26936294 0.68 SLC16A3 (0.55) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL29906670 0.68 SLC16A3 (0.55) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL19506950 0.68 SLC16A3 (0.47) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL19506949 0.67 SLC16A3 (0.52) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL23620244 0.66 SLC16A3 (0.31) SLC16A3
SCHEMBL22651628 0.62 SLC16A3 (0.44) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL23620434 0.62 SLC16A3 (0.51) SLC16A3USP2ALOX15CASP1CASP7
SCHEMBL22651590 0.60 SLC16A3 (0.56) SLC16A3USP2ALOX15CASP1CASP7

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-2021137500-A1 REAL-TIME FLUORESCENCE IMAGING SENSOR FOR MEASURING GLUTATHIONE IN ENDOPLASMIC RETICULUM AND METHOD USING SAME 주식회사 셀투인 2021-07-08 — — WO disclosed
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