SCHEMBL23620265

SCHEMBL23620265

Cc1ccc([S+]([O-])NCCNC(=O)C2CCN(C(=O)/C(C#N)=C/c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ USP2 O75604 4/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ CASP7 P55210 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 3/20 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
SCHEMBL23620169 0.80 SLC16A3 (0.32) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL19506952 0.79 SLC16A3 (0.45) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL29906670 0.71 SLC16A3 (0.55) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL26936294 0.71 SLC16A3 (0.55) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL19506950 0.71 SLC16A3 (0.47) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL19506949 0.70 SLC16A3 (0.52) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL22651628 0.69 SLC16A3 (0.44) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL23620434 0.68 SLC16A3 (0.51) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL22651590 0.66 SLC16A3 (0.56) SLC16A3KMT2AMEN1USP2CASP1
SCHEMBL19519721 0.64 SLC16A3 (0.49) SLC16A3KMT2AMEN1USP2CASP1

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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