SCHEMBL30011368

SCHEMBL30011368

CNC(=O)c1ccc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD11B1 P28845 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PARP1 P09874 10/20 0.41
▸ PARP2 Q9UGN5 3/20 0.41
▸ MET P08581 2/20 0.41
▸ USP30 Q70CQ3 2/20 0.41
▸ HDAC1 Q13547 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ PARP6 Q2NL67 2/20 0.38
▸ PARP3 Q9Y6F1 2/20 0.38
▸ AR P10275 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ TIPARP Q7Z3E1 1/20 0.37

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
SCHEMBL30010401 1.00 MEN1 (0.44) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL28869874 1.00 MEN1 (0.44) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL28869871 1.00 MEN1 (0.44) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL27203521 0.89 MEN1 (0.43) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL25738115 0.89 HDAC1 (0.48) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL24649851 0.88 HDAC1 (0.51) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL25916778 0.88 HDAC1 (0.51) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL24649916 0.88 HDAC1 (0.51) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL27203569 0.85 MEN1 (0.48) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL31105212 0.82 MET (0.42) MEN1MAPTTSHRKMT2ASMN1; 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-115232121-B Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-08-29 — — CN disclosed
CN-115232121-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2022-10-25 — — CN disclosed
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