SCHEMBL9701173

SCHEMBL9701173

O=C1NC(=S)NC1c1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.62
GUSB P08236 1/20 0.54
KIF11 P52732 4/20 0.44
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL8076297 0.83 KIF11 (0.56) DHFRGUSBKIF11ALDH1A1ALOX15
SCHEMBL28460326 0.81 ALDH1A1 (0.54) DHFRALDH1A1L3MBTL1LMNARECQL
SCHEMBL28916331 0.80 GUSB (0.50) DHFRGUSBALDH1A1GAALMNA
SCHEMBL62941 0.79 ALDH1A1 (0.58) DHFRGUSBALDH1A1HSD17B10GAA
SCHEMBL3338050 0.78 DHFR (0.52) DHFRGUSBKIF11ALDH1A1ALOX15
SCHEMBL3344481 0.78 DHFR (0.52) DHFRGUSBKIF11ALDH1A1ALOX15
SCHEMBL29357488 0.77 DHFR (0.54) DHFRGUSBKIF11ALDH1A1GAA
SCHEMBL5696233 0.77 DHFR (0.54) DHFRGUSBKIF11ALDH1A1GAA
SCHEMBL11017765 0.77 DDB1 (0.44) DHFRGUSBALDH1A1GAAL3MBTL1
SCHEMBL14164082 0.77 DHFR (1.00) DHFRGUSBKIF11ALDH1A1ALOX15

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
WO-1992000526-A1 PEPTIDE SEQUENCING METHOD AND REAGENTS THEREFOR GARIEPY KATHLEEN COX (US) 1992-01-09 WO disclosed