SCHEMBL3574580

SCHEMBL3574580

CC(C)(C)ON1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.66
AURKB Q96GD4 1/20 0.66
PARP1 P09874 18/20 0.58
PLA2G2A P14555 1/20 0.58
ALOX15 P16050 1/20 0.58
PTGS2 P35354 1/20 0.58
DHODH Q02127 2/20 0.56
PARP2 Q9UGN5 3/20 0.56
CHEK2 O96017 1/20 0.54

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
SCHEMBL6584331 0.87 AURKB (0.50) AURKAAURKBPARP1PLA2G2AALOX15
SCHEMBL3587286 0.86 AURKA (0.76) AURKAAURKBPARP1PLA2G2AALOX15
SCHEMBL3574583 0.84 AURKB (0.49) AURKAAURKBPARP1PLA2G2AALOX15
SCHEMBL7764169 0.83 MGAM (0.52) AURKAAURKB
SCHEMBL3576336 0.83 PARP1 (0.62) AURKAAURKBPARP1PLA2G2AALOX15
SCHEMBL3576975 0.83 PARP1 (0.72) AURKAAURKBPARP1PLA2G2AALOX15
SCHEMBL3582276 0.83 AURKB (0.82) AURKAAURKBPARP1PLA2G2AALOX15
SCHEMBL3580352 0.82 AURKB (0.68) AURKAAURKBPARP1DHODHPARP2
SCHEMBL3577220 0.82 AURKA (0.71) AURKAAURKBPARP1PLA2G2AALOX15
SCHEMBL3582843 0.80 AURKB (0.76) AURKAAURKBPARP1DHODHPARP2

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-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed