SCHEMBL31425263

SCHEMBL31425263

COc1ccc2c(c1)Sc1ccc(C(=O)O)cc1N2C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.53
▸ ACHE P22303 4/20 0.45
▸ SNCA P37840 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ CSNK1E P49674 2/20 0.38
▸ CLK1 P49759 2/20 0.38
▸ CLK3 P49761 2/20 0.38
▸ CSNK1G2 P78368 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ MAP3K19 Q56UN5 2/20 0.38
▸ PIM3 Q86V86 2/20 0.38
▸ HSD17B10 Q99714 2/20 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
SCHEMBL29406451 0.81 SNCA (0.60) BCHEACHESNCAKDM4EHPGD
SCHEMBL19918106 0.81 SNCA (0.60) BCHEACHESNCAKDM4EHPGD
SCHEMBL30858752 0.81 BCHE (0.54) BCHEACHESNCAKDM4EHPGD
SCHEMBL30858755 0.81 BCHE (0.54) BCHEACHESNCAKDM4EHPGD
SCHEMBL19918109 0.78 SNCA (0.73) BCHESNCAKDM4EMAPK1MAPT
SCHEMBL29406423 0.78 SNCA (0.73) BCHESNCAKDM4EMAPK1MAPT
SCHEMBL19942820 0.77 BCHE (0.49) BCHEACHESNCAKDM4EHPGD
SCHEMBL19939646 0.75 BCHE (0.47) BCHESNCAKDM4EHPGDTP53
SCHEMBL30196010 0.74 BCHE (0.46) BCHESNCAKDM4EHPGDTP53
SCHEMBL19918214 0.74 BCHE (0.46) BCHESNCAKDM4EHPGDTP53

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-119638644-A Phenothiazine sulfonamide compound or salt thereof, and preparation method and application thereof 郑州大学 2025-03-18 — — CN disclosed
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