SCHEMBL3999926

SCHEMBL3999926

CNc1ccc(C(=O)OC)cc1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
XDH P47989 1/20 0.50
KDM4E B2RXH2 7/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 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
SCHEMBL377803 0.83 ALDH1A1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL550572 0.81 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL5450879 0.80 KDM4E (0.66) CA1CA2CA12CA7CA9
SCHEMBL8340768 0.80 KDM4E (0.59) CA1CA2CA12CA7CA9
SCHEMBL13847151 0.80 CA1 (0.67) CA1CA2CA12CA7CA9
SCHEMBL2344670 0.80 TDP1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL204112 0.79 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL22912827 0.79 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL22924456 0.79 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL2339935 0.79 MAPT (0.60) CA1CA2CA12CA7CA9

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-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed