SCHEMBL1432891

SCHEMBL1432891

CCC(C)C(N)C(=O)N[C@H](CC1CCCC2CCCC[C@@H]21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.41
▸ PSMB10 P40306 8/20 0.40
▸ PSMB2 P49721 6/20 0.40
▸ PSMB5 P28074 1/20 0.37
▸ FURIN P09958 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMB8 P28062 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
SCHEMBL13416194 1.00 MASP2 (0.41) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431906 1.00 MASP2 (0.41) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431619 0.92 MASP2 (0.42) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431622 0.92 MASP2 (0.42) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL3147941 0.92 MASP2 (0.42) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1432232 0.91 MASP2 (0.43) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL3148239 0.91 MASP2 (0.43) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1432229 0.91 MASP2 (0.43) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431747 0.88 PSMB10 (0.46) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1903263 0.87 MASP2 (0.40) MASP2PSMB10PSMB2PSMB5FURIN

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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