SCHEMBL3238563

SCHEMBL3238563

COC(=O)c1cc(N=C=S)c(C(=O)OC)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
MAPT P10636 6/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 7/20 0.37
HPGD P15428 4/20 0.37
MAPK1 P28482 4/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A2 P19784 1/20 0.36
KDR P35968 1/20 0.36
CSNK2B P67870 1/20 0.36

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
SCHEMBL18641198 0.84 MAPT (0.41) OPRD1MAPTTSHRKMT2AHSD17B10
SCHEMBL27653478 0.81 MAPT (0.38) OPRD1MAPTTSHRKMT2AHSD17B10
SCHEMBL3261351 0.77 GPR35 (0.37) MAPTKMT2AKDM4EGLAALDH1A1
SCHEMBL1483718 0.75 CSNK2A2 (0.39) OPRD1MAPTTSHRKMT2AHSD17B10
SCHEMBL2919829 0.73 NPC1 (0.49) MAPTTSHRKMT2AKDM4EL3MBTL1
SCHEMBL1483660 0.71 LMNA (0.47) OPRD1MAPTTSHRKMT2AHSD17B10
SCHEMBL577650 0.71 MAPT (0.45) OPRD1MAPTTSHRKMT2AHSD17B10
SCHEMBL3245224 0.70 RAF1 (0.46) MAPTL3MBTL1PKM
SCHEMBL10679238 0.69 OPRD1 (0.44) OPRD1MAPTTSHRKMT2AHSD17B10
SCHEMBL3239031 0.69 KDM4E (0.54) OPRD1MAPTTSHRKMT2AHSD17B10

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
WO-2010022308-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-25 WO disclosed
WO-2010022308-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-25 WO disclosed