SCHEMBL6586802

SCHEMBL6586802

CC(C)(C)OC(=O)Nc1cscc1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PSMB8 P28062 1/20 0.36
CYP17A1 P05093 3/20 0.35
ATR Q13535 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LCK P06239 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
BRD4 O60885 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL27451484 0.88 METAP1 (0.38) METAP1BRD9CA1CA2PSMB8
SCHEMBL1066439 0.84 METAP1 (0.45) METAP1BRD9CA1CA2PSMB8
SCHEMBL27450991 0.81 METAP1 (0.38) METAP1BRD9CA1CA2PSMB8
SCHEMBL5029628 0.78 PTPN1 (0.56) METAP1BRD9CA1CA2PSMB8
SCHEMBL3039310 0.78 MAPT (0.49) METAP1BRD9CA1CA2PSMB8
SCHEMBL4636495 0.77 BRD9 (0.45) METAP1BRD9CA1MEN1NPC1
SCHEMBL23960291 0.76 ATR (0.43) METAP1BRD9CA1CA2PSMB8
SCHEMBL22774998 0.76 CA1 (0.42) METAP1BRD9CA1CA2PSMB8
SCHEMBL1483110 0.76 CA1 (0.42) METAP1BRD9CA1CA2PSMB8
SCHEMBL3633543 0.75 PTGDR2 (0.40) METAP1BRD9CA1CA2PSMB8

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-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed