SCHEMBL4457060

SCHEMBL4457060

COC(=O)Oc1cccc2ncn(CC(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FGFR1 P11362 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
APAF1 O14727 1/20 0.39
ADORA2B P29275 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38

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
SCHEMBL4457436 0.85 POLB (0.39) KDM4EHPGDHSD17B10CYP3A4CYP2D6
SCHEMBL4457005 0.81 POLB (0.48) KDM4EHSD17B10KMT2AALDH1A1MAPT
SCHEMBL4453442 0.79 SMN1; SMN2 (0.62) HPGDKMT2AALDH1A1MAPT
SCHEMBL3038422 0.79 USP2 (0.46) HDAC6CSNK2A2CSNK2A1PTGS2KDM4E
SCHEMBL4458421 0.78 SMN1; SMN2 (0.47) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL3042764 0.76 PTGS2 (0.48) HDAC6CSNK2A2CSNK2A1PTGS2CYP3A4
SCHEMBL4462916 0.75 RXFP1 (0.47) KDM4EGAAKMT2AMAPT
SCHEMBL14291770 0.75 PTGS2 (0.49) HDAC6CSNK2A2CSNK2A1PTGS2KDM4E
SCHEMBL306478 0.74 PTGS2 (0.46) HDAC6CSNK2A2CSNK2A1PTGS2KDM4E
SCHEMBL308328 0.74 PTGS2 (0.48) HDAC6CSNK2A2CSNK2A1PTGS2KDM4E

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-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed