SCHEMBL3800903

SCHEMBL3800903

NC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 12/20 0.56
CDK5R1 Q15078 12/20 0.56
CCNA2 P20248 10/20 0.56
CDK2 P24941 10/20 0.56
CCNA1 P78396 10/20 0.56
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ENPP2 Q13822 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR2B P41595 1/20 0.42

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
SCHEMBL3054936 0.87 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5215851 0.87 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL11910537 0.78 MMP1 (0.51) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5216246 0.78 CDK5 (0.52) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL15651710 0.77 HDAC1 (0.68) CDK5CDK5R1KMT2AL3MBTL1ENPP2
SCHEMBL14422223 0.77 LMNA (0.59) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5215439 0.77 MAPT (0.59) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9942086 0.75 LMNA (0.57) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14422230 0.75 LMNA (0.57) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14422224 0.75 LMNA (0.60) CDK5CDK5R1CCNA2CDK2CCNA1

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-2010114726-A1 AMINOBENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed