SCHEMBL6964076

SCHEMBL6964076

Cc1cccc(CCNC(=O)NSc2nc3ccccc3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
CNR1 P21554 1/20 0.46
MAPT P10636 4/20 0.45
MAOB P27338 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
SCD O00767 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6963617 0.88 CSNK1D (0.54) ALOX5CNR1MAPTMAOBNPC1
SCHEMBL6963863 0.88 LTA4H (0.52) ALOX5CNR1MAPTMAOBNPC1
SCHEMBL6956223 0.87 MAPT (0.49) ALOX5CNR1MAPTMAOBNPC1
SCHEMBL6955042 0.85 ALOX5 (0.51) ALOX5MAPTNPC1RAB9APOLB
SCHEMBL6958388 0.83 ALOX5 (0.51) ALOX5CNR1MAPTNPC1RAB9A
SCHEMBL8891824 0.82 MAPT (0.54) ALOX5CNR1MAPTNPC1RAB9A
SCHEMBL6959559 0.82 ALOX5 (0.52) ALOX5MAPTMAOBNPC1RAB9A
SCHEMBL6958932 0.81 FPR2 (0.51) ALOX5MAPTNPC1RAB9APOLB
SCHEMBL6959133 0.80 ALOX5 (0.52) ALOX5CNR1MAPTNPC1RAB9A
SCHEMBL6961755 0.80 ALOX5 (0.52) ALOX5MAPTNPC1RAB9APOLB

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 5 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-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