SCHEMBL8199405

SCHEMBL8199405

O=C(O)c1ccc(C=C(Cc2ncc[nH]2)c2nccs2)cc1-c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.36
PBK Q96KB5 1/20 0.34
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PTPN1 P18031 1/20 0.31
GPR35 Q9HC97 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8207539 0.89 PTGDR2 (0.35) KDM4EGAAHTTSMN1; SMN2PTPN1
SCHEMBL8205725 0.85 EIF4E (0.33) GAASMN1; SMN2
SCHEMBL8209367 0.80 GAA (0.39) KDM4EGAAHTTSMN1; SMN2MEN1
SCHEMBL8199294 0.80 GAA (0.35) KDM4EGAAHTTSMN1; SMN2MEN1
SCHEMBL7703360 0.78 CYP11B1 (0.40) KDM4EMEN1KMT2A
SCHEMBL8207364 0.76 GAA (0.38) NTRK1KDM4EGAAHTTSMN1; SMN2
SCHEMBL8271519 0.75 SLC6A4 (0.37) KDM4EGAAHTTSMN1; SMN2
SCHEMBL8212069 0.74 FNTA (0.38)
SCHEMBL8206760 0.73 KDM4E (0.38) KDM4EGAAHTTSMN1; SMN2KMT2A
SCHEMBL8206261 0.71 FNTA (0.51)

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