SCHEMBL4457436

SCHEMBL4457436

COC(=O)Oc1cccc2ncn(CCO)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 2/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
FGFR1 P11362 1/20 0.37
LMNA P02545 1/20 0.37
ADORA2B P29275 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPK1 P28482 1/20 0.36
APAF1 O14727 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
SCHEMBL4457060 0.85 HDAC6 (0.47) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3042449 0.79 LMNA (0.43) KDM4EHSD17B10DPP4DPP8GAA
SCHEMBL4457005 0.76 POLB (0.48) POLBALDH1A1KDM4EHSD17B10TP53
SCHEMBL4453442 0.75 SMN1; SMN2 (0.62) POLBTDP1ALDH1A1HPGDMAPT
SCHEMBL309078 0.74 DPP4 (0.41) POLBTDP1KDM4EDPP4DPP8
SCHEMBL4458421 0.73 SMN1; SMN2 (0.47) ALDH1A1KDM4ETP53GAAMAPT
SCHEMBL4453299 0.72 DPP4 (0.45) TDP1ALDH1A1KDM4ETP53DPP4
SCHEMBL3042416 0.71 DPP4 (0.41) TDP1DPP4DPP8LMNAADORA2B
SCHEMBL14291769 0.71 DPP4 (0.49) TDP1ALDH1A1KDM4EHSD17B10DPP4
SCHEMBL4462916 0.71 RXFP1 (0.47) POLBKDM4EGAAMAPTLMNA

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