SCHEMBL6963863

SCHEMBL6963863

O=C(NCCc1cccc(F)c1)NSc1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
EPHX2 P34913 3/20 0.52
ALOX5 P09917 2/20 0.49
CNR1 P21554 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MAOB P27338 2/20 0.44
MAPT P10636 4/20 0.43
ROCK2 O75116 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL6964076 0.88 ALOX5 (0.49) ALOX5CNR1MAOBMAPTKMT2A
SCHEMBL6963617 0.88 CSNK1D (0.54) ALOX5CNR1MAOBMAPTKMT2A
SCHEMBL6955042 0.85 ALOX5 (0.51) LTA4HEPHX2ALOX5PTGS2MAPT
SCHEMBL6956223 0.85 MAPT (0.49) ALOX5CNR1MAOBMAPTROCK2
SCHEMBL6961755 0.84 ALOX5 (0.52) LTA4HEPHX2ALOX5MAPTKMT2A
SCHEMBL6958388 0.83 ALOX5 (0.51) ALOX5CNR1MGAMGAASI
SCHEMBL6964844 0.82 ALOX5 (0.50) LTA4HEPHX2ALOX5MAPTKMT2A
SCHEMBL8891824 0.82 MAPT (0.54) ALOX5CNR1MAPTKMT2AMEN1
SCHEMBL6962860 0.82 ALOX5 (0.52) LTA4HEPHX2ALOX5CNR1MAOB
SCHEMBL6959133 0.80 ALOX5 (0.52) ALOX5CNR1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed