SCHEMBL7385462

SCHEMBL7385462

O=c1oc2c(c(O)c1C(Cc1ccccc1)SCc1ccoc1)Cc1cccc(O)c1-2

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPN P05981 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
KDR P35968 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8945373 0.65 NQO1 (0.55) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL6953448 0.64 RXRA (0.34) ALDH1A1CYP3A4MAPTTSHRTDP1
SCHEMBL8383568 0.57 MAPT (0.51) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL8383583 0.54 MEN1 (0.47) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL7388345 0.54 CREB1 (0.39) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL7387195 0.54 ACHE (0.36) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL7349571 0.54 NQO1 (0.42) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL7358536 0.54 NQO1 (0.42) ALDH1A1TSHRKMT2ATDP1L3MBTL1
Anthralin SCHEMBL3197 0.54 MAPT (1.00) MEN1USP2ALDH1A1HPNCYP3A4
Anthralin SCHEMBL29439039 0.54 MAPT (1.00) MEN1USP2ALDH1A1HPNCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504104-A TREATING INFECTIONS OR DISEASES CAUSED BY RETROVIRUSES, SUCH AS HIV AND AIDS WARNER-LAMBERT COMPANY (US) 1996-04-02 US disclosed