SCHEMBL28580786

SCHEMBL28580786

CC(=O)ON=C(N)c1ccc2cc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)n(-c3cccc4ccccc34)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.36
▸ DRD2 P14416 5/20 0.35
▸ DRD3 P35462 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ USP14 P54578 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ CACNB4 O00305 1/20 0.32
▸ CACNA1A O00555 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNG3 O60359 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
SCHEMBL28580784 1.00 F10 (0.36) F10DRD2DRD3KDM1AMAOB
SCHEMBL30180691 1.00 F10 (0.36) F10DRD2DRD3KDM1AMAOB
SCHEMBL30180745 0.92 F10 (0.37) F10DRD2DRD3KDM1AMAOB
SCHEMBL28588827 0.92 F10 (0.37) F10DRD2DRD3KDM1AMAOB
SCHEMBL28588823 0.92 F10 (0.37) F10DRD2DRD3KDM1AMAOB
SCHEMBL25017935 0.90 F10 (0.41) F10DRD2DRD3KDM1AMAOB
SCHEMBL30180569 0.90 F10 (0.41) F10DRD2DRD3KDM1AMAOB
SCHEMBL28578367 0.90 F10 (0.41) F10DRD2DRD3KDM1AMAOB
SCHEMBL28583330 0.89 F10 (0.38) F10DRD2DRD3KDM1AMAOB
SCHEMBL28583328 0.89 F10 (0.38) F10DRD2DRD3KDM1AMAOB

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-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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