SCHEMBL27968956

SCHEMBL27968956

COc1ccc(C(=O)C2CCN(C(C)C=O)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ KDM2B Q8NHM5 1/20 0.50
▸ ALDH1A1 P00352 8/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL27968954 0.85 KDM2B (0.52) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL27968966 0.82 KDM2B (0.49) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL10413533 0.80 CYP1A2 (0.61) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL28853735 0.79 SLC18A3 (0.55) LMNAKDM2BALDH1A1POLBSMN1; SMN2
SCHEMBL21381748 0.78 ALDH1A1 (0.60) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL14638477 0.78 ALDH1A1 (0.60) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL1291777 0.77 PDE4B (0.66) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL15684713 0.76 PDE4B (0.64) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL14637151 0.75 KDM2B (0.58) LMNAKDM4EPKMKDM2BALDH1A1
SCHEMBL8948042 0.74 MEN1 (0.58) LMNAKDM4EPKMKDM2BALDH1A1

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-103781776-A Novel 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG 2014-05-07 — — CN disclosed
Send feedback