SCHEMBL3369156

SCHEMBL3369156

O=C(NC1CCN(C2CC2)CC1)c1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.74
▸ PARP2 Q9UGN5 2/20 0.60

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
SCHEMBL3370923 0.89 PARP1 (0.71) PARP1PARP2
SCHEMBL6017012 0.89 PARP1 (0.71) PARP1PARP2
SCHEMBL6016999 0.76 PARP1 (0.50) PARP1
SCHEMBL3369864 0.75 PARP1 (0.80) PARP1PARP2
SCHEMBL7422467 0.73 KDM4E (0.54) PARP1
SCHEMBL8952887 0.72 KDM4E (0.62) PARP1
SCHEMBL3368858 0.72 PARP1 (0.53) PARP1PARP2
SCHEMBL311504 0.70 KDM4E (0.56) PARP1PARP2
SCHEMBL605537 0.70 HTR3E (0.53) PARP1
SCHEMBL13914873 0.70 HTR3E (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 — — EP disclosed
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