SCHEMBL25211399

SCHEMBL25211399

Nc1ccc(-c2ccc(N=Nc3ccc4oc(=O)c(C(=O)O)cc4c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
GPR35 Q9HC97 8/20 0.52
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA6 P23280 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
CA5B Q9Y2D0 4/20 0.52
MAOB P27338 4/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA5A P35218 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL25210634 0.85 GPR35 (0.63) MAOAGPR35CA12CA1CA6
SCHEMBL25245701 0.85 GPR35 (0.63) MAOAGPR35CA12CA1CA6
SCHEMBL25237481 0.83 GPR35 (0.72) MAOAGPR35CA12CA1CA6
SCHEMBL25207557 0.83 GPR35 (0.72) MAOAGPR35CA12CA1CA6
SCHEMBL30426071 0.83 MAOB (0.60) MAOACA12CA6CA7CA9
SCHEMBL25694967 0.82 MAOA (0.53) MAOAGPR35CA12CA1CA6
SCHEMBL25247603 0.82 GPR35 (0.49) MAOAGPR35CA12CA1CA6
SCHEMBL30425757 0.82 GPR35 (0.49) MAOAGPR35CA12CA1CA6
SCHEMBL25207543 0.82 GPR35 (0.49) MAOAGPR35CA12CA1CA6
SCHEMBL30738443 0.81 MAOA (0.69) MAOAGPR35CA12CA1CA6

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