SCHEMBL1431488

SCHEMBL1431488

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H](N)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.39
▸ MASP2 O00187 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NLN Q9BYT8 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ GPR142 Q7Z601 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
SCHEMBL1431704 0.94 MASP2 (0.43) MALT1MASP2NLNMMP2
SCHEMBL3139300 0.85 MASP2 (0.47) MALT1MASP2EPHX2NLNROCK2
SCHEMBL1431986 0.85 MASP2 (0.42) MASP2KCNH2
SCHEMBL1907931 0.84 BACE1 (0.40) MASP2
SCHEMBL1431885 0.84 HPGD (0.39) MALT1MASP2
SCHEMBL1432596 0.84 MASP2 (0.39) MASP2EPHX2KCNH2
SCHEMBL3153403 0.84 MASP2 (0.45) MASP2EPHX2NLNROCK2KCNH2
SCHEMBL1432359 0.84 F2 (0.48) —
SCHEMBL1431838 0.83 METAP2 (0.39) MASP2EPHX2KCNH2
SCHEMBL1901816 0.83 MASP2 (0.39) MASP2KCNH2

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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