SCHEMBL6381122

SCHEMBL6381122

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 8/20 0.57
PARP1 P09874 10/20 0.49
GRIN2B Q13224 1/20 0.46
HPSE Q9Y251 1/20 0.44

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
SCHEMBL6380064 0.90 PARP1 (0.54) VSIRPARP1GRIN2BHPSE
SCHEMBL6385598 0.88 PARP1 (0.56) VSIRPARP1HPSE
SCHEMBL6379906 0.86 PARP1 (0.49) VSIRPARP1HPSE
SCHEMBL7140549 0.85 PARP1 (0.69) VSIRPARP1
SCHEMBL6378984 0.84 PARP1 (0.51) VSIRPARP1HPSE
SCHEMBL6383675 0.83 PARP1 (0.57) VSIRPARP1
SCHEMBL6379926 0.82 PARP1 (0.58) VSIRPARP1
SCHEMBL6380476 0.82 PARP1 (0.72) VSIRPARP1
SCHEMBL6380066 0.81 PARP1 (0.55) VSIRPARP1
SCHEMBL6383270 0.80 PARP1 (0.51) VSIRPARP1

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-1131301-B1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-08-24 EP disclosed