SCHEMBL28039675

SCHEMBL28039675

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.58
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 5/20 0.53
GAA P10253 2/20 0.53
HSD17B10 Q99714 2/20 0.51
IMPDH2 P12268 1/20 0.50
RORC P51449 1/20 0.50
THRB P10828 1/20 0.48
PPARG P37231 1/20 0.47
PSMD14 O00487 1/20 0.47
RECQL P46063 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL28039680 0.85 KIF11 (0.62) KIF11KDM4EALDH1A1HPGDGAA
SCHEMBL70362 0.84 KIF11 (0.71) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17461849 0.80 KIF11 (0.72) KIF11KDM4EALDH1A1HPGDTHRB
SCHEMBL23830045 0.77 PARP1 (0.68) KIF11KDM4EALDH1A1HPGDGAA
SCHEMBL29620678 0.77 PARP1 (0.68) KIF11KDM4EALDH1A1HPGDGAA
SCHEMBL30844878 0.77 KDM4E (0.67) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL69604 0.77 KDM4E (0.67) KIF11KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9746959 0.75 KDM4E (0.65) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15995301 0.75 KDM4E (0.42) KIF11KDM4EALDH1A1HPGDGAA
SCHEMBL4727576 0.74 KDM4E (0.78) KIF11KDM4EALDH1A1HPGDGAA

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
CN-105008352-B Carbazole compounds useful as bromodomain inhibitors 百时美施贵宝公司 2018-12-07 CN disclosed
CN-105008352-A Carbazole compounds useful as bromodomain inhibitors BRISTOL MYERS SQUIBB CO 2015-10-28 CN disclosed