SCHEMBL5873227

SCHEMBL5873227

O=C([O-])c1c(O)ccc2c(O)cccc12.[Cs+]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
APP P05067 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SNCA P37840 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL3388914 0.80 CA12 (0.64) IDO1CA12CA1CA2CA7
SCHEMBL8920116 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8921901 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL18920883 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
Potassium Ion SCHEMBL8213152 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL23495983 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL18920878 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
Zinc Ion SCHEMBL29933060 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL18920876 0.77 CA2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL28247406 0.77 CA2 (0.56) CA12CA1CA2CA7CA9

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-7019104-B1 Diamine novel acid dianhydride and novel polyimide composition formed therefrom KANEKA CORPORATION (JP) 2006-03-28 US disclosed