SCHEMBL7996748

SCHEMBL7996748

COC(=O)c1cc(O)cc(-c2ccc(C)cc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
TDP1 Q9NUW8 2/20 0.44
CNR2 P34972 2/20 0.42
HSD17B10 Q99714 6/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
GAA P10253 2/20 0.41
ATM Q13315 2/20 0.41

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
SCHEMBL8008715 0.91 TDP1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL8005875 0.86 TDP1 (0.44) TDP1CNR2HSD17B10KDM4EALDH1A1
SCHEMBL3660558 0.86 TDP1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7945903 0.85 NOTUM (0.43) TDP1CNR2HSD17B10KDM4EALDH1A1
SCHEMBL7997686 0.84 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL8005894 0.83 SLC7A5 (0.43) TDP1CNR2HSD17B10KDM4EALDH1A1
SCHEMBL17707305 0.82 TDP1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1495802 0.80 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1495726 0.79 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL7950971 0.79 EGFR (0.39) TDP1HSD17B10KDM4EALDH1A1MAPT

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
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed