SCHEMBL21653295

SCHEMBL21653295

CCn1cc(NC(=O)C2CCCCN2)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 13/20 0.55
▸ PFKFB1 P16118 12/20 0.55
▸ PFKFB2 O60825 9/20 0.55
▸ PSMB8 P28062 2/20 0.47
▸ ULK1 O75385 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.45
▸ KHK P50053 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ SCN5A Q14524 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
SCHEMBL21653293 0.82 PFKFB3 (0.41) PFKFB3PFKFB1PFKFB2PSMB8
SCHEMBL21653197 0.82 RAB9A (0.55) —
SCHEMBL21653001 0.81 PFKFB3 (0.40) PFKFB3PFKFB1PFKFB2PSMB8
SCHEMBL21653300 0.81 PTPN1 (0.54) —
SCHEMBL21652994 0.81 PFKFB3 (0.44) PFKFB3PFKFB1PFKFB2PSMB8KHK
SCHEMBL21652996 0.80 PFKFB3 (0.40) PFKFB3PFKFB1PFKFB2PSMB8
SCHEMBL21652993 0.80 PFKFB3 (0.39) PFKFB3PFKFB1PFKFB2PSMB8
SCHEMBL21652984 0.78 ALOX15 (0.48) ULK1KHK
SCHEMBL21652982 0.75 ALDH1A1 (0.46) —
SCHEMBL19234761 0.73 SCN3A (0.52) PFKFB3PFKFB1PFKFB2PSMB8ULK1

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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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