SCHEMBL9167311

SCHEMBL9167311

O=c1[nH]c(=O)n(COCCO)cc1Cc1cc(F)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.70
USP2 O75604 1/20 0.37
PNP P00491 1/20 0.37
TSHR P16473 1/20 0.37
EDNRA P25101 1/20 0.37
HTR2A P28223 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7558156 0.82 UPP1 (1.00) UPP1
SCHEMBL9166276 0.81 UPP1 (0.66) UPP1
SCHEMBL9163320 0.80 UPP1 (0.65) UPP1
SCHEMBL9171945 0.79 UPP1 (0.74) UPP1
SCHEMBL9161543 0.77 UPP1 (0.67) UPP1
SCHEMBL3786418 0.77 UPP1 (0.57) UPP1USP2PNPTSHREDNRA
SCHEMBL7516732 0.76 UPP1 (0.77) UPP1
SCHEMBL9169402 0.76 UPP1 (0.66) UPP1
SCHEMBL9171189 0.74 UPP1 (0.67) UPP1
SCHEMBL21067979 0.74 UPP1 (0.74) UPP1

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-0649413-A1 URACIL DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1994001414-A1 URACIL DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed