SCHEMBL30150635

SCHEMBL30150635

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.38
▸ KMT2A Q03164 7/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ USP2 O75604 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ CASP1 P29466 4/20 0.38
▸ CASP7 P55210 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38

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 0.90 SLC16A3 (0.42) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL29438140 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL30109062 0.69 KDM4E (0.34) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL28946503 0.69 KDM4E (0.34) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL28927394 0.69 KDM4E (0.34) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL20209719 0.65 MCL1 (0.41) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL20209457 0.64 MCL1 (0.41) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14458535 0.64 ALDH1A1 (0.54) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL10123976 0.64 SLC16A3 (0.70) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL3205404 0.63 ALDH1A1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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