SCHEMBL30931847

SCHEMBL30931847

CC(C)(C)OC(=O)NCCCNc1ccc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.53
▸ STK17A Q9UEE5 1/20 0.53
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ FPR3 P25089 5/20 0.47
▸ FPR2 P25090 5/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ SSTR4 P31391 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL21564563 1.00 STK17B (0.53) STK17BSTK17ARAB9ANPC1FPR3
SCHEMBL12964548 0.92 BCHE (0.46) STK17BSTK17ARAB9ANPC1FPR3
SCHEMBL30931818 0.92 BCHE (0.46) STK17BSTK17ARAB9ANPC1FPR3
SCHEMBL29564991 0.87 BCHE (0.42) STK17BSTK17ARAB9ANPC1FPR3
SCHEMBL17154889 0.83 STK17B (0.56) STK17BSTK17AFPR3FPR2CPB2
SCHEMBL24881103 0.82 RAB9A (0.47) RAB9ANPC1FPR3FPR2GBA1
SCHEMBL23720472 0.81 CA12 (0.50) STK17BSTK17ARAB9ANPC1FPR3
SCHEMBL22242641 0.81 PCSK9 (0.54) RAB9ANPC1CPB2
SCHEMBL1937712 0.80 STK17B (0.47) STK17BSTK17ACA12CA1CA2
SCHEMBL21564436 0.80 LATS1 (0.43) RAB9ANPC1GAA

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-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
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