SCHEMBL6805765

SCHEMBL6805765

CCCC(c1[nH]c2ccccc2c1-c1nc2c(C(N)=O)cccc2[nH]1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.50
DHODH Q02127 2/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 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
SCHEMBL6805769 0.88 KDM4E (0.37) PARP1
SCHEMBL6584637 0.87 PARP1 (0.39) PARP1DHODH
SCHEMBL6805760 0.78 PARP1 (0.51) PARP1DHODH
SCHEMBL6806325 0.73 PARP1 (0.62) PARP1DHODHAURKB
SCHEMBL29411925 0.70 PARP1 (0.72) PARP1DHODHAURKB
SCHEMBL6806945 0.68 PARP1 (0.60) PARP1DHODHAURKB
SCHEMBL6805407 0.67 PARP1 (0.60) PARP1DHODHAURKB
SCHEMBL6803959 0.66 PARP1 (0.65) PARP1DHODHAURKB
SCHEMBL6802028 0.66 PARP1 (0.66) PARP1DHODHAURKB
SCHEMBL29411891 0.65 PARP1 (1.00) PARP1DHODHAURKB

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed