SCHEMBL28088573

SCHEMBL28088573

CS(=O)(=O)c1cccc(Br)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ PLCG1 P19174 1/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL4314526 0.81 CA2 (0.39) CA1CA2CA4CA6PLCG1
SCHEMBL16019380 0.81 CA1 (0.39) CA1CA2CA4CA6PLCG1
SCHEMBL4665197 0.81 ALDH1A1 (0.41) CA1CA2CA4CA6PLCG1
SCHEMBL29890712 0.78 CA1 (0.62) CA1CA2CA4CA6PLCG1
SCHEMBL1542687 0.78 CA1 (0.62) CA1CA2CA4CA6PLCG1
SCHEMBL14461307 0.77 P2RX7 (0.36) HSD11B1POLBKMT2AMEN1
SCHEMBL14461320 0.76 GABRA1 (0.41) PDK2HSD11B1POLBKMT2AMEN1
SCHEMBL23726465 0.75 HCAR1 (0.40) CA1CA2CA5ACA9PDK2
SCHEMBL696825 0.74 ALDH1A1 (0.48) CA1CA2CA5ACA9PDK2
SCHEMBL29406141 0.74 ALDH1A1 (0.48) CA1CA2CA5ACA9PDK2

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-105849101-A Novel imidazolidine-2,4-dione derivatives 益普生制药股份有限公司 2016-08-10 — — CN disclosed
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