SCHEMBL13844360

SCHEMBL13844360

C=NN(Oc1ncnc2sc(C(=O)OC)c(C)c12)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MKNK2 Q9HBH9 11/20 0.44
HPGD P15428 3/20 0.43
ATM Q13315 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
FGFR1 P11362 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3980765 0.74 MRGPRX1 (0.64) HSD17B10MKNK2HPGDATMMRGPRX1
SCHEMBL3977843 0.68 HSD17B10 (0.48) HSD17B10MKNK2HPGDATMMKNK1
SCHEMBL2368112 0.67 HPGD (0.57) HSD17B10MKNK2HPGDATMMKNK1
SCHEMBL4365183 0.66 MRGPRX1 (0.51) HSD17B10MKNK2HPGDATMMRGPRX1
SCHEMBL4369869 0.65 HSD17B10 (0.52) HSD17B10MKNK2HPGDATMMKNK1
SCHEMBL3979886 0.65 MRGPRX1 (0.49) HSD17B10MKNK2HPGDMRGPRX1MKNK1
SCHEMBL23630827 0.65 HSD17B10 (1.00) HSD17B10HPGDKDM4EALDH1A1LMNA
SCHEMBL3977837 0.64 MKNK2 (0.52) HSD17B10MKNK2HPGDATM
SCHEMBL2368331 0.62 MKNK2 (0.82) MKNK2
SCHEMBL15426163 0.62 FGFR1 (0.67) MKNK2MKNK1LMNAFGFR1

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-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed