SCHEMBL29560054

SCHEMBL29560054

COC(=O)c1csc2c(Br)cc(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ SPR P35270 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ MET P08581 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ CYP46A1 Q9Y6A2 1/20 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
SCHEMBL22866725 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDKMT2ASPR
SCHEMBL22866471 0.86 L3MBTL1 (0.34) KDM4EL3MBTL1GPR35
SCHEMBL19554583 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDKMT2ASPR
SCHEMBL22866767 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDKMT2ASPR
SCHEMBL29560113 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDKMT2ASPR
SCHEMBL28715107 0.84 GPR35 (0.45) KDM4EKMT2AGPR35MEN1HSD17B10
SCHEMBL27319832 0.83 NQO2 (0.39) KDM4EALDH1A1HPGDKMT2ASPR
SCHEMBL29559836 0.83 NQO2 (0.39) KDM4EALDH1A1HPGDKMT2ASPR
SCHEMBL22866911 0.82 CD38 (0.39) KDM4EALDH1A1GPR35
SCHEMBL22866730 0.80 KDM4E (0.35) KDM4EALDH1A1KMT2AL3MBTL1MEN1

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-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 — — CN disclosed
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