SCHEMBL31040171

SCHEMBL31040171

COc1ccc2c(c1)C(=O)C(F)CC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.59
ACHE P22303 1/20 0.56
METAP1 P53582 3/20 0.48
CYP24A1 Q07973 5/20 0.46
CYP27A1 Q02318 3/20 0.46
CYP26A1 O43174 2/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL16311356 0.84 ACHE (0.69) CYP19A1ACHEMETAP1ALDH1A1
SCHEMBL5237018 0.83 ACHE (0.71) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL5237012 0.83 ACHE (0.71) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL5237022 0.83 ACHE (0.71) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL30714800 0.81 ACHE (0.56) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL6630846 0.81 ACHE (0.56) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL13363970 0.81 ACHE (0.56) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL30715530 0.81 ACHE (0.56) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL992002 0.81 ACHE (0.56) CYP19A1ACHEMETAP1CYP24A1CYP27A1
SCHEMBL3875408 0.81 ACHE (0.56) CYP19A1ACHEMETAP1CYP24A1CYP27A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
WO-2024222712-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-31 WO disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 CN disclosed