SCHEMBL31014190

SCHEMBL31014190

Nc1c(C(=O)OCc2cn(Cc3cccc(Cl)c3)nn2)c2nc3c(CO)cccc3oc-2cc1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.41
TYR P14679 1/20 0.39
F2 P00734 1/20 0.36
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL31014195 0.94 MAOB (0.45) MAOBIDO1MAOAABCG2BCHE
SCHEMBL31014191 0.91 MAOB (0.41) MAOBIDO1MAOAABCG2BCHE
SCHEMBL31014188 0.91 ABCG2 (0.45) MAOBIDO1MAOATYRABCG2
SCHEMBL31014189 0.87 IDO1 (0.42) MAOBIDO1MAOATYRABCG2
SCHEMBL31014208 0.87 MAOB (0.39) MAOBIDO1MAOAABCG2
SCHEMBL31014193 0.83 IDO1 (0.40) MAOBIDO1MAOA
SCHEMBL31091516 0.80 MAOB (0.54) MAOBIDO1MAOABCHEACHE
SCHEMBL31091523 0.76 IDO1 (0.54) MAOBIDO1MAOA
SCHEMBL31091514 0.75 MAOB (0.53) MAOBIDO1MAOA
SCHEMBL31091511 0.75 MAOB (0.53) MAOBIDO1MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440025-B Zhu Gongjun acid derivative and preparation method and application thereof 济南爱思医药科技有限公司 2024-09-17 CN disclosed
CN-118440025-A Zhu Gongjun acid derivative and preparation method and application thereof 济南爱思医药科技有限公司 2024-08-06 CN disclosed