SCHEMBL21653191

SCHEMBL21653191

CCn1cc(NC(=O)[C@@H]2CC[C@H](C)C2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TYK2 P29597 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21653188 0.89 NAMPT (0.42) NAMPTNPSR1RAB9AMEN1KMT2A
SCHEMBL21653197 0.84 RAB9A (0.55) NAMPTNPSR1RAB9ALMNASMN1; SMN2
SCHEMBL21653189 0.84 RAB9A (0.43) RAB9AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL21653300 0.83 PTPN1 (0.54) RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21652982 0.82 ALDH1A1 (0.46) NAMPTNPSR1RAB9AMEN1KMT2A
SCHEMBL21652990 0.78 ALDH1A1 (0.40) NAMPTNPSR1RAB9AKMT2ATYK2
SCHEMBL21652984 0.77 ALOX15 (0.48) RAB9AALDH1A1KDM4E
SCHEMBL21652992 0.75 ALDH1A1 (0.38) NAMPTNPSR1RAB9AKMT2ASMN1; SMN2
SCHEMBL21653202 0.75 CNR2 (0.43) KMT2AALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL21653203 0.73 SMN1; SMN2 (0.46) NPSR1RAB9AMEN1KMT2ALMNA

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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