SCHEMBL8635762

SCHEMBL8635762

COc1cc(Br)ccc1CS

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.51
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV6 Q9H1D0 1/20 0.39

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
SCHEMBL17956558 0.84 KDM4E (0.54) KDM4ETDP1GAAMAPTHTT
SCHEMBL30423333 0.82 PYCR1 (0.53) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL1125103 0.82 PYCR1 (0.53) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL3484403 0.82 PYCR1 (0.53) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL7668799 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL46431 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL30289878 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL1427602 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL6292921 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT
SCHEMBL30223764 0.80 PYCR1 (0.51) PYCR1KDM4ETDP1GAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 EP disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed