SCHEMBL1432163

SCHEMBL1432163

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N(CCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.40
▸ SUV39H2 Q9H5I1 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ MASP2 O00187 3/20 0.32
▸ F2R P25116 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL1432165 1.00 CA2 (0.40) CA2SUV39H2TSHRSMN1; SMN2CTSS
SCHEMBL1432112 0.86 TSHR (0.32) TSHRSMN1; SMN2F2R
SCHEMBL1432114 0.86 TSHR (0.32) TSHRSMN1; SMN2F2R
SCHEMBL3140071 0.81 CA2 (0.44) CA2BACE1
SCHEMBL3140056 0.81 CA2 (0.44) CA2BACE1
SCHEMBL3140061 0.81 CA2 (0.44) CA2BACE1
SCHEMBL1432123 0.79 CA2 (0.37) CA2BACE1MASP2
SCHEMBL1432125 0.79 CA2 (0.37) CA2BACE1MASP2
SCHEMBL1432100 0.79 CA2 (0.39) CA2BACE1
SCHEMBL1432276 0.74 ALDH1A1 (0.45) ALDH1A1

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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