SCHEMBL11537835

SCHEMBL11537835

CC(O)C(=O)Oc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
ERAP1 Q9NZ08 1/20 0.43
PARP14 Q460N5 6/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
JAK2 O60674 1/20 0.42
HTT P42858 1/20 0.42
KLK7 P49862 1/20 0.42
FTO Q9C0B1 1/20 0.40
MPL P40238 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
PBRM1 Q86U86 1/20 0.38

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
SCHEMBL2935664 0.87 KIF11 (0.44) KIF11ERAP1PARP14TP53MAPT
SCHEMBL3924071 0.84 PARP14 (0.50) KIF11ERAP1PARP14TP53MAPT
SCHEMBL2429422 0.82 PARP14 (0.51) KIF11PARP14TP53MAPTJAK2
SCHEMBL4786156 0.82 SLC22A6 (0.55) KIF11PARP14TP53MAPTJAK2
SCHEMBL27500727 0.82 PARP14 (0.49) KIF11PARP14TP53MAPTJAK2
SCHEMBL15560416 0.80 KIF11 (0.47) KIF11PARP14TP53MAPTJAK2
SCHEMBL6601301 0.80 PARP14 (0.51) KIF11ERAP1PARP14TP53MAPT
SCHEMBL29001995 0.79 KIF11 (0.44) KIF11ERAP1PARP14TP53MAPT
SCHEMBL11584101 0.79 EGFR (0.46) KIF11ERAP1PARP14TP53MAPT
SCHEMBL3393216 0.79 MAPT (0.39) KIF11ERAP1PARP14TP53MAPT

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-4150031-A Hydroxy methyl carbazole acetic acid and esters HOFFMANN-LA ROCHE INC. (US) 1979-04-17 US disclosed