SCHEMBL7140549

SCHEMBL7140549

CCCNCc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.69
VSIR Q9H7M9 1/20 0.60
DHODH Q02127 2/20 0.57

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
SCHEMBL30811249 0.89 PARP1 (0.76) PARP1DHODH
SCHEMBL29180029 0.89 PARP1 (0.76) PARP1DHODH
SCHEMBL7137721 0.87 PARP1 (0.79) PARP1DHODH
SCHEMBL6381122 0.85 VSIR (0.57) PARP1VSIR
SCHEMBL29180021 0.83 PARP1 (0.73) PARP1DHODH
SCHEMBL7141034 0.83 PARP1 (0.72) PARP1DHODH
SCHEMBL7135042 0.82 PARP1 (0.82) PARP1DHODH
SCHEMBL7138597 0.81 PARP1 (0.80) PARP1DHODH
SCHEMBL7134234 0.81 PARP1 (1.00) PARP1DHODH
SCHEMBL7136544 0.80 PARP1 (0.78) PARP1DHODH

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-6509365-B1 2-phenylbenzimidazoles and 2-phenylindoles, and production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed