SCHEMBL8207459

SCHEMBL8207459

O=C(O)c1ccc(CC(Cc2ncc[nH]2)c2nccs2)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.39
BRS3 P32247 9/20 0.37

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
SCHEMBL7708877 0.77 NPC1 (0.41) CTSA
SCHEMBL8207539 0.70 PTGDR2 (0.35) BRS3
SCHEMBL8185758 0.69 CTSA (0.40) CTSABRS3
SCHEMBL7240383 0.69 FNTA (0.41) CTSA
SCHEMBL7856745 0.67 BRS3 (0.39) BRS3
SCHEMBL8210369 0.65 BRS3 (0.46) BRS3
SCHEMBL6775461 0.64 PTPN1 (0.56)
SCHEMBL10909137 0.62 PTPN1 (0.53)
SCHEMBL6679972 0.62 PTPN1 (0.53)
SCHEMBL6777102 0.62 PTPN1 (0.53)

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