SCHEMBL29438161

SCHEMBL29438161

CCCCSc1c(C=C(C#N)C(=O)O)c(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 3/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ USP2 O75604 7/20 0.41
▸ MAPT P10636 6/20 0.41
▸ GAA P10253 5/20 0.41
▸ LMNA P02545 5/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ CASP1 P29466 5/20 0.41
▸ CASP7 P55210 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ GLA P06280 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39

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
SCHEMBL30150635 0.90 MEN1 (0.38) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL29438140 0.84 MEN1 (0.46) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL20209719 0.68 MCL1 (0.41) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL20209457 0.67 MCL1 (0.41) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL14458535 0.67 ALDH1A1 (0.54) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL17948547 0.67 SLC16A3 (0.55) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL19506949 0.66 SLC16A3 (0.52) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL13948391 0.66 SLC16A3 (0.49) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL2561903 0.66 ALDH1A1 (0.55) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL28927435 0.66 SLC16A3 (0.34) SLC16A3ALDH1A1MEN1KMT2AMAPT

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
CN-114249743-A Synthesis of multi-signal fluorescent probe and simultaneous differentiation of Hcy, Cys and SO2And the use of GSH 湖南师范大学 2022-03-29 — — CN disclosed
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