SCHEMBL28911635

SCHEMBL28911635

CC(C)(C)OC(=O)NCCCNc1ccc(Oc2cccc(-c3cc(Cl)cc(Cl)c3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ SUCNR1 Q9BXA5 4/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36

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
SCHEMBL28555951 0.89 STK17B (0.44) STK17BSTK17ACA12CA1CA2
SCHEMBL21551137 0.84 STK17B (0.41) STK17BSTK17ACA12CA1CA2
SCHEMBL21551136 0.83 STK17B (0.40) STK17BSTK17ACA12CA1CA2
SCHEMBL21564565 0.83 STK17B (0.40) STK17BSTK17ACA12CA1CA2
SCHEMBL21564397 0.76 BRD4 (0.38) BRD4DRD2
SCHEMBL28443979 0.73 ABL1 (0.50) —
SCHEMBL30931847 0.72 STK17B (0.53) STK17BSTK17ACA12CA1CA2
SCHEMBL21564563 0.72 STK17B (0.53) STK17BSTK17ACA12CA1CA2
SCHEMBL15036877 0.71 CA1 (0.56) CA12CA1CA2CA9SUCNR1
SCHEMBL16169738 0.71 CA1 (0.56) CA12CA1CA2CA9SUCNR1

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-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
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