SCHEMBL27968954

SCHEMBL27968954

COc1ccc(C(=O)C2CCN(C(C)C(=O)C(C)N3CCC(C(=O)c4ccc(OC)c(OC)c4)CC3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ PDE4B Q07343 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL27968956 0.85 LMNA (0.52) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL27968966 0.84 KDM2B (0.49) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL10413533 0.82 CYP1A2 (0.61) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL14638477 0.80 ALDH1A1 (0.60) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL21381748 0.80 ALDH1A1 (0.60) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL1291777 0.79 PDE4B (0.66) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL15684713 0.78 PDE4B (0.64) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL28853734 0.78 SLC18A3 (0.57) KDM2BLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL14637151 0.77 KDM2B (0.58) KDM2BLMNAPKMKDM4EALDH1A1
SCHEMBL8948042 0.76 MEN1 (0.58) KDM2BLMNAPKMKDM4EALDH1A1

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
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