SCHEMBL21652855

SCHEMBL21652855

CCn1cc(NC(=O)C2CCC3OCOC3N2)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 5/20 0.36
▸ PFKFB1 P16118 4/20 0.36
▸ PFKFB2 O60825 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TYK2 P29597 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ DPP4 P27487 2/20 0.31
▸ PPM1B O75688 1/20 0.31
▸ CASP3 P42574 1/20 0.31

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
SCHEMBL21653296 0.78 ALDH1A1 (0.38) PFKFB3PFKFB1PFKFB2ALDH1A1KDM4E
SCHEMBL21653293 0.78 PFKFB3 (0.41) PFKFB3PFKFB1PFKFB2ALDH1A1KDM4E
SCHEMBL21653001 0.77 PFKFB3 (0.40) PFKFB3PFKFB1PFKFB2ALDH1A1KDM4E
SCHEMBL21652993 0.75 PFKFB3 (0.39) PFKFB3PFKFB1PFKFB2ALDH1A1KDM4E
SCHEMBL21653295 0.74 PFKFB3 (0.55) PFKFB3PFKFB1PFKFB2
SCHEMBL21652996 0.73 PFKFB3 (0.40) PFKFB3PFKFB1PFKFB2ALDH1A1KDM4E
SCHEMBL21653197 0.73 RAB9A (0.55) ALDH1A1KDM4ELMNAHSD17B10GAA
SCHEMBL21653300 0.72 PTPN1 (0.54) ALDH1A1KDM4EHSD17B10HPGDNPC1
SCHEMBL21652982 0.71 ALDH1A1 (0.46) ALDH1A1KDM4ETYK2LMNAMEN1
SCHEMBL21653202 0.69 CNR2 (0.43) ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4

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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