SCHEMBL7830138

SCHEMBL7830138

O=C(O)c1sccc1SCc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 7/20 1.00
PTPRC P08575 7/20 0.75
MAPT P10636 1/20 0.72
KMT2A Q03164 6/20 0.67
PTPN1 P18031 1/20 0.47
RHEB Q15382 1/20 0.46
MEN1 O00255 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7509205 0.84 PTPRG (1.00) PTPRGPTPRCMAPTKMT2APTPN1
SCHEMBL4021401 0.82 PTPRC (0.75) PTPRGPTPRCMAPTKMT2APTPN1
SCHEMBL6550957 0.80 KMT2A (1.00) PTPRGPTPRCMAPTKMT2AALDH1A1
SCHEMBL4019876 0.78 PTPRG (0.67) PTPRGPTPRCMAPTKMT2APTPN1
SCHEMBL7823399 0.78 PTPRC (0.75) PTPRGPTPRCMAPTKMT2APTPN1
SCHEMBL1308406 0.77 PTPRC (0.77) PTPRGPTPRCMAPTKMT2APTPN1
SCHEMBL4017809 0.74 PTPRG (0.58) PTPRGPTPRCMAPTKMT2AMEN1
SCHEMBL4018099 0.74 KDR (0.65) PTPRGPTPRCMAPTKMT2ARAB9A
SCHEMBL18171985 0.74 KMT2A (0.64) PTPRGPTPRCMAPTKMT2APTPN1
SCHEMBL4015249 0.73 PTPRG (0.57) PTPRGPTPRCMAPTKMT2AMEN1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed