SCHEMBL8559526

SCHEMBL8559526

CCCC(c1cccc2c1C(=O)NC2=O)N1CCOCC1.O=C1NC(=O)c2c(CCCCBr)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2B Q13554 3/20 0.34
CAMK2G Q13555 3/20 0.34
CAMK2D Q13557 3/20 0.34
CAMK2A Q9UQM7 3/20 0.34
CCNE2 O96020 2/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CHEK1 O14757 3/20 0.33
WEE1 P30291 3/20 0.33
PRKCG P05129 2/20 0.32
PRKCB P05771 2/20 0.32
PRKCA P17252 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL8555433 0.87 PRKCG (0.39) CAMK2BCAMK2GCAMK2DCAMK2ACDK2
SCHEMBL8559639 0.77
SCHEMBL1234203 0.75 GSK3B (0.39) KDM4EALDH1A1CYP1A2HPGDCASP1
SCHEMBL4026807 0.74 GSK3B (0.38) KDM4EALDH1A1CYP1A2HPGDCASP1
SCHEMBL133934 0.74 GSK3B (0.38) KDM4EALDH1A1CYP1A2HPGDCASP1
SCHEMBL9152783 0.74 GSK3B (0.38) KDM4EALDH1A1CYP1A2HPGDCASP1
SCHEMBL4909203 0.74 GSK3B (0.38) KDM4EALDH1A1CYP1A2HPGDCASP1
SCHEMBL8938070 0.74 GSK3B (0.38) KDM4EALDH1A1CYP1A2HPGDCASP1
SCHEMBL9151570 0.74 GSK3B (0.38) KDM4EALDH1A1CYP1A2HPGDCASP1
SCHEMBL31036258 0.74 GSK3B (0.38) KDM4EALDH1A1CYP1A2HPGDCASP1

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
EP-0575954-B1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI SRL (IT) 1998-09-02 EP disclosed