SCHEMBL3587286

SCHEMBL3587286

CN1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.76
AURKB Q96GD4 1/20 0.76
PARP1 P09874 19/20 0.72
PARP2 Q9UGN5 6/20 0.70
DHODH Q02127 2/20 0.63
PLA2G2A P14555 1/20 0.61
ALOX15 P16050 1/20 0.61
PTGS2 P35354 1/20 0.61

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
SCHEMBL3577220 0.96 AURKA (0.71) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3581187 0.88 AURKB (0.64) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3576975 0.88 PARP1 (0.72) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3582276 0.88 AURKB (0.82) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3580352 0.88 AURKB (0.68) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3574435 0.87 AURKB (1.00) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3574580 0.86 AURKA (0.66) AURKAAURKBPARP1PARP2DHODH
SCHEMBL6806343 0.85 AURKA (0.78) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3582843 0.85 AURKB (0.76) AURKAAURKBPARP1PARP2DHODH
SCHEMBL3579915 0.85 PARP1 (0.67) AURKAAURKBPARP1PARP2DHODH

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