SCHEMBL25697138

SCHEMBL25697138

COc1cc(Br)ccc1/N=N/c1cc(OC)c2oc(=O)c(C(=O)O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA3 P07451 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ CA5B Q9Y2D0 1/20 0.52
▸ MAPT P10636 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GPR35 Q9HC97 9/20 0.47
▸ PIM1 P11309 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44

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
SCHEMBL25697270 0.89 CA12 (0.56) CA12CA1CA2CA3CA4
SCHEMBL25697115 0.87 MAPT (0.54) CA12CA2CA3CA4CA6
SCHEMBL25697098 0.85 GPR35 (0.59) CA12CA1CA2CA3CA4
SCHEMBL25697176 0.83 GPR35 (0.57) CA12CA1CA2CA3CA4
SCHEMBL25697301 0.78 GPR35 (0.53) CA12CA1CA2CA3CA4
SCHEMBL1368696 0.72 PIM1 (0.61) CA12CA1CA2CA3CA4
SCHEMBL25234977 0.71 GPR35 (0.60) CA12CA1CA2CA3CA4
SCHEMBL25211394 0.71 GPR35 (0.60) CA12CA1CA2CA3CA4
SCHEMBL25697126 0.71 CA12 (0.64) CA12CA1CA2CA3CA4
SCHEMBL980310 0.69 CA12 (1.00) CA12CA1CA2CA3CA4

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-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 — — WO disclosed
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