SCHEMBL29243451

SCHEMBL29243451

COc1cc(-c2cc(C(=O)N3CCC(C#N)(C(=O)NCc4cccc(Cl)c4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ EPHX2 P34913 1/20 0.37
▸ THRB P10828 3/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ AKT2 P31751 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ FYN P06241 1/20 0.34

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
SCHEMBL29585770 1.00 POLB (0.42) POLBEPHX2THRBROCK2ROCK1
SCHEMBL29583762 0.90 POLB (0.44) POLBEPHX2THRBROCK2ROCK1
SCHEMBL24423578 0.90 POLB (0.46) POLBEPHX2THRBROCK2ROCK1
SCHEMBL24422999 0.90 POLB (0.44) POLBEPHX2THRBROCK2ROCK1
SCHEMBL29585078 0.90 POLB (0.46) POLBEPHX2THRBROCK2ROCK1
SCHEMBL29243422 0.89 POLB (0.43) POLBEPHX2THRBROCK2ROCK1
SCHEMBL29584984 0.89 POLB (0.43) POLBEPHX2THRBROCK2ROCK1
SCHEMBL29584948 0.89 POLB (0.43) POLBEPHX2THRBROCK2ROCK1
SCHEMBL29243835 0.89 POLB (0.43) POLBEPHX2THRBROCK2ROCK1
SCHEMBL29584936 0.88 POLB (0.42) POLBEPHX2THRBROCK2ROCK1

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
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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