SCHEMBL29438140

SCHEMBL29438140

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ ALDH1A1 P00352 8/20 0.46
▸ USP2 O75604 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ GAA P10253 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ CASP1 P29466 4/20 0.46
▸ CASP7 P55210 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ GLA P06280 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ TDP1 Q9NUW8 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44

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
SCHEMBL29438161 0.84 SLC16A3 (0.42) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL30150635 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL2561903 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL13223671 0.77 KMT2A (0.52) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14458535 0.74 ALDH1A1 (0.54) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL16572444 0.72 ALDH1A1 (0.52) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL17914323 0.72 ALDH1A1 (0.62) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL12153732 0.71 ALDH1A1 (0.67) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL13223654 0.71 MEN1 (0.45) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL16572447 0.71 MEN1 (0.49) MEN1KMT2AALDH1A1USP2MAPT

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 3 patents. 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 claimed
CN-114249743-B Synthesis of multi-signal fluorescent probe and simultaneous differentiation of Hcy, cys and SO 2 And the use of GSH 湖南师范大学 2023-02-28 — — CN disclosed
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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