SCHEMBL8205442

SCHEMBL8205442

COC(=O)c1ccc(C=C(Cc2ncc[nH]2)c2nccs2)cc1-c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
NR4A2 P43354 1/20 0.32
KDM4E B2RXH2 3/20 0.31
POLQ O75417 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
P2RX3 P56373 1/20 0.31
ALDH1A1 P00352 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL8199294 0.90 GAA (0.35) AXLKDM4EGAAHTTALDH1A1
SCHEMBL8271519 0.88 SLC6A4 (0.37) KDM4EGAAHTTALDH1A1
SCHEMBL8206449 0.82 FNTA (0.45)
SCHEMBL8207539 0.80 PTGDR2 (0.35) KDM4EGAAHTTALDH1A1
SCHEMBL7247059 0.79 KDM4E (0.38) AXLNR4A2KDM4EPOLQOPRK1
SCHEMBL7247057 0.79 KDM4E (0.38) AXLNR4A2KDM4EPOLQOPRK1
SCHEMBL8206760 0.79 KDM4E (0.38) KDM4EGAAHTTALDH1A1
SCHEMBL8210020 0.78 KDM4E (0.32) KDM4EGAAHTTALDH1A1
SCHEMBL8205725 0.78 EIF4E (0.33) GAA
SCHEMBL8205766 0.76 GAA (0.38) AXLKDM4EGAAHTTALDH1A1

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-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed