SCHEMBL1432283

SCHEMBL1432283

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ F2R P25116 1/20 0.40
▸ PPIB P23284 1/20 0.40
▸ SCN5A Q14524 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ JAK2 O60674 1/20 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
SCHEMBL1434992 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1PPIBL3MBTL1
SCHEMBL1433071 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1PPIBL3MBTL1
SCHEMBL1432276 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PPIBSCN5A
SCHEMBL1432596 0.76 MASP2 (0.39) F2R
SCHEMBL1432168 0.75 MASP2 (0.35) F2R
SCHEMBL1431525 0.74 PPIB (0.39) ALDH1A1PPIBSMN1; SMN2
SCHEMBL23419975 0.74 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL1431838 0.74 METAP2 (0.39) —
SCHEMBL1901816 0.73 MASP2 (0.39) F2R
SCHEMBL1431936 0.73 F2 (0.39) ALDH1A1PPIBSMN1; 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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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