SCHEMBL28039680

SCHEMBL28039680

CNC(=O)c1ccc2c(c1)[nH]c1ccc(C(=O)O)cc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.62
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
THRB P10828 1/20 0.51
PARP1 P09874 1/20 0.49
TLR8 Q9NR97 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
DYRK1A Q13627 1/20 0.47
MAPKAPK2 P49137 1/20 0.46
TLR9 Q9NR96 1/20 0.46
IMPDH2 P12268 5/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 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
SCHEMBL70362 0.87 KIF11 (0.71) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL28039675 0.85 KIF11 (0.58) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL17461849 0.83 KIF11 (0.72) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL23830045 0.80 PARP1 (0.68) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL29620678 0.80 PARP1 (0.68) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL69604 0.80 KDM4E (0.67) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL30844878 0.80 KDM4E (0.67) KIF11KDM4EALDH1A1HPGDTHRB
Hydrochloric Acid SCHEMBL9746959 0.79 KDM4E (0.65) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL15995415 0.77 KIF11 (0.62) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL20515867 0.77 MEN1 (0.59) KIF11KDM4EALDH1A1HPGDTHRB

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
CN-105008352-A Carbazole compounds useful as bromodomain inhibitors BRISTOL MYERS SQUIBB CO 2015-10-28 CN disclosed