SCHEMBL4775167

SCHEMBL4775167

CC(=O)N1CCC(CNC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)[S+](C)[O-])cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
LIPG Q9Y5X9 1/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL4777398 0.90 KMT2A (0.45) KDM4ELMNAALDH1A1GAATPSAB1
SCHEMBL4770946 0.84 RECQL (0.39) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL4774938 0.83 RECQL (0.49) KDM4EPKMLMNASMN1; SMN2HTT
SCHEMBL4793581 0.77 RECQL (0.41) LMNASMN1; SMN2ALDH1A1NAMPTCXCR3
SCHEMBL5571930 0.76 ALDH1A1 (0.56) KDM4EPKMLMNASMN1; SMN2ALDH1A1
SCHEMBL4767621 0.74 RECQL (0.49) KDM4ELMNAALDH1A1GAATPSAB1
SCHEMBL5567967 0.73 KDM4E (0.58) KDM4EPKMLMNAALDH1A1GAA
SCHEMBL5571928 0.69 NAMPT (0.45) KDM4EPKMLMNASMN1; SMN2HTT
SCHEMBL4775217 0.68 RECQL (0.56) LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL5571881 0.68 ALDH1A1 (0.51) LMNAALDH1A1GAADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed