SCHEMBL6016863

SCHEMBL6016863

O=C(O)COC(=O)c1cccc2[nH]cnc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
EGLN1 Q9GZT9 1/20 0.40
PRMT5 O14744 1/20 0.40
HDAC3 O15379 1/20 0.39
BRD4 O60885 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL31529624 0.84 PARP1 (0.59) PARP1
SCHEMBL534252 0.84 PARP1 (0.59) PARP1
SCHEMBL1382494 0.81 TSHR (0.56) PARP1HDAC3BRD4HDAC4HDAC1
SCHEMBL11789726 0.80 TSHR (0.57) PARP1
SCHEMBL6016896 0.80 PARP1 (0.57) PARP1PRMT5
SCHEMBL536589 0.79 PARP1 (0.64) PARP1
SCHEMBL453514 0.78 PARP1 (0.72) PARP1
SCHEMBL16115021 0.78 PARP1 (0.55) PARP1PRMT5HDAC3BRD4HDAC4
SCHEMBL6016867 0.77 CLEC4M (0.40) PARP1
SCHEMBL27464431 0.77 PARP1 (0.57) PARP1PRMT5HDAC3BRD4HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed