SCHEMBL6963453

SCHEMBL6963453

COc1cccc(OC)c1CCNC(=O)NSc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
PTGS2 P35354 1/20 0.48
GLO1 Q04760 1/20 0.46
HTT P42858 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL8685472 0.94 ALOX5 (0.46) ALOX5PTGS2GLO1HTTPKM
SCHEMBL6962415 0.90 MTNR1A (0.50) ALOX5PTGS2GLO1HTTPKM
SCHEMBL6954427 0.86 ALOX5 (0.44) ALOX5GLO1HTTPKMALDH1A1
SCHEMBL6963479 0.85 ALOX5 (0.45) ALOX5PKMALDH1A1KMT2AMAPT
SCHEMBL6955473 0.84 ALOX5 (0.46) ALOX5PTGS2GLO1HTTPKM
SCHEMBL6959133 0.84 ALOX5 (0.52) ALOX5ALDH1A1KMT2AMAPTPOLB
SCHEMBL6961755 0.84 ALOX5 (0.52) ALOX5ALDH1A1KMT2AMAPTPOLB
SCHEMBL6958932 0.83 FPR2 (0.51) ALOX5GLO1HTTPKMALDH1A1
SCHEMBL6963996 0.83 MEN1 (0.50) ALOX5GLO1ALDH1A1KMT2AMAPT
SCHEMBL6952697 0.83 MAPT (0.48) ALOX5GLO1ALDH1A1KMT2AMAPT

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