SCHEMBL12809264

SCHEMBL12809264

COC(=O)c1cc(O)c2ccc(OC)c(S)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.40
PDE4D Q08499 2/20 0.40
MAPK1 P28482 1/20 0.39
GPR35 Q9HC97 1/20 0.37
MAPT P10636 3/20 0.36
NQO2 P16083 2/20 0.35
DHODH Q02127 1/20 0.35
PIM1 P11309 1/20 0.35
GRM2 Q14416 1/20 0.35
CNR2 P34972 1/20 0.35
PTGER4 P35408 1/20 0.34

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
SCHEMBL561626 0.85 GPR35 (0.47) LCKPDE4DMAPK1GPR35MAPT
SCHEMBL561388 0.84 RXFP1 (0.40) LCKPDE4DMAPK1GPR35MAPT
SCHEMBL561469 0.84 PDE4D (0.45) LCKPDE4DMAPK1MAPTNQO2
SCHEMBL562408 0.84 GRM2 (0.41) LCKPDE4DMAPK1GPR35MAPT
SCHEMBL13074496 0.84 PDE4D (0.42) LCKPDE4DMAPK1GPR35MAPT
SCHEMBL561666 0.81 PDE10A (0.47) LCKPDE4DMAPK1MAPTPTGER4
SCHEMBL8292463 0.78 LCK (0.42) LCKMAPK1MAPTNQO2PTGER4
SCHEMBL561634 0.75 LCK (0.38) LCKPDE4DMAPK1GPR35MAPT
SCHEMBL6080299 0.75 CNR2 (0.42) LCKPDE4DMAPK1GPR35MAPT
SCHEMBL10015177 0.74 LCK (0.41) LCKMAPK1MAPTNQO2GRM2

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-1673385-B1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2011-03-02 EP disclosed