SCHEMBL6238882

SCHEMBL6238882

NN(C(=O)CC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL6241857 0.81 KEAP1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5724902 0.81 PTGIR (0.38) ALDH1A1MAPT
SCHEMBL6239956 0.79 HTT (0.42) MEN1KMT2AKDM4EMAPTMMP2
SCHEMBL15559295 0.78 CES2 (0.41) OGG1KDM4EMAPTHDAC3HDAC4
SCHEMBL25638233 0.78 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL29523783 0.75 OGG1 (0.35) OGG1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17161281 0.74 ALOX5 (0.44) OGG1MEN1KMT2AKDM4EALDH1A1
SCHEMBL21767229 0.73 OGG1 (0.48) OGG1MEN1KMT2AKDM4EMAPT
SCHEMBL9795712 0.73 KEAP1 (0.40) OGG1MEN1KMT2AHDAC3HDAC4
SCHEMBL11247372 0.73 MAPT (0.41) OGG1MEN1KMT2AKDM4EALDH1A1

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-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO disclosed