SCHEMBL21886954

SCHEMBL21886954

O=C(O)CCc1ccc(-n2sc(Cl)cc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.50
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
FFAR1 O14842 9/20 0.44
KEAP1 Q14145 1/20 0.42
PLA2G4A P47712 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
TBXAS1 P24557 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL21814457 0.81 KAT2B (0.48) KAT2B
SCHEMBL21887490 0.77 KAT2B (0.56) KAT2BCA1CA2
SCHEMBL21886773 0.77 PPARD (0.46) KAT2BPPARDPPARAFFAR1KEAP1
SCHEMBL11193393 0.74 KAT2B (0.60) KAT2BCA1
SCHEMBL12632651 0.72 KAT2B (0.61) KAT2BCA1
SCHEMBL21814475 0.71 TDP1 (0.52) KAT2B
SCHEMBL69746 0.70 FFAR1 (0.81) FFAR1KEAP1CA1CA2
SCHEMBL349314 0.69 FFAR1 (0.71) FFAR1KEAP1CA1CA2
Hydrochloric Acid SCHEMBL25264643 0.68 FFAR1 (0.77) FFAR1KEAP1TBXAS1CA1CA2
SCHEMBL1823484 0.67 PPARD (0.62) PPARDPPARAFFAR1KEAP1ITGB3

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
WO-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed