SCHEMBL31014191

SCHEMBL31014191

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.41
HDAC1 Q13547 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31014188 0.94 ABCG2 (0.45) MAOBIDO1MAOAHDAC1ABCG2
SCHEMBL31014195 0.93 MAOB (0.45) MAOBIDO1MAOAABCG2ABCB1
SCHEMBL31014190 0.91 MAOB (0.41) MAOBIDO1MAOAABCG2BCHE
SCHEMBL31014189 0.90 IDO1 (0.42) MAOBIDO1MAOAHDAC1ABCG2
SCHEMBL31014208 0.84 MAOB (0.39) MAOBIDO1MAOAABCG2
SCHEMBL31091516 0.80 MAOB (0.54) MAOBIDO1MAOAABCB1BCHE
SCHEMBL31014193 0.78 IDO1 (0.40) MAOBIDO1MAOA
SCHEMBL31091523 0.76 IDO1 (0.54) MAOBIDO1MAOASMN1; SMN2
SCHEMBL31091514 0.75 MAOB (0.53) MAOBIDO1MAOAHPGDSMN1; SMN2
SCHEMBL31091511 0.75 MAOB (0.53) MAOBIDO1MAOAHPGDSMN1; SMN2

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