SCHEMBL6016896

SCHEMBL6016896

O=C(OCC1CC1)c1cccc2[nH]cnc12

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
PRMT5 O14744 1/20 0.43

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
SCHEMBL534252 0.81 PARP1 (0.59) PARP1
SCHEMBL31529624 0.81 PARP1 (0.59) PARP1
SCHEMBL6016863 0.80 PARP1 (0.57) PARP1PRMT5
SCHEMBL6016899 0.79 CHRNB2 (0.39)
SCHEMBL1382494 0.77 TSHR (0.56) PARP1
SCHEMBL11789726 0.76 TSHR (0.57) PARP1
SCHEMBL536589 0.76 PARP1 (0.64) PARP1
SCHEMBL16115021 0.74 PARP1 (0.55) PARP1PRMT5
SCHEMBL27464431 0.74 PARP1 (0.57) PARP1PRMT5
SCHEMBL630485 0.74 PARP1 (1.00) PARP1

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