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SCHEMBL9615526

SCHEMBL9615526

O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O.O=S(=O)(O)c1cc(S(=O)(=O)O)c(S(=O)(=O)O)c(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 14/20 0.37
▸ CA2 P00918 14/20 0.37
▸ CA4 P22748 4/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL5705751 0.84 CA1 (0.37) CA1CA2CA4AKR1B1MEN1
SCHEMBL29393657 0.80 AKR1B1 (0.55) CA1CA2CA4AKR1B1MEN1
SCHEMBL453848 0.80 AKR1B1 (0.55) CA1CA2CA4AKR1B1MEN1
SCHEMBL8966423 0.80 AKR1B1 (0.55) CA1CA2CA4AKR1B1MEN1
SCHEMBL23629774 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1MEN1
Water SCHEMBL505782 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1MEN1
SCHEMBL1314141 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1MEN1
SCHEMBL15864891 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1MEN1
SCHEMBL8939988 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1MEN1
Hydrochloric Acid SCHEMBL935435 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1MEN1

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-5093227-A Pyrazoloazole Coupler, Image Dye Stabilizer FUJI PHOTO FILM CO., LTD. (JP) 1992-03-03 — — US disclosed