SCHEMBL6962415

SCHEMBL6962415

COc1ccccc1CCNC(=O)NSc1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ALOX5 P09917 2/20 0.49
CNR1 P21554 1/20 0.47
GLO1 Q04760 1/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
PTGS2 P35354 1/20 0.46
MAOB P27338 1/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
LMNA P02545 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
SCHEMBL6953893 0.91 ALOX5 (0.48) ALOX5KMT2AALDH1A1NPC1RAB9A
SCHEMBL6963453 0.90 ALOX5 (0.49) ALOX5GLO1KMT2AALDH1A1NPC1
SCHEMBL6963996 0.89 MEN1 (0.50) MTNR1AMTNR1BALOX5GLO1KMT2A
SCHEMBL6952697 0.89 MAPT (0.48) ALOX5GLO1KMT2AALDH1A1NPC1
SCHEMBL8685472 0.86 ALOX5 (0.46) ALOX5GLO1KMT2AALDH1A1NPC1
SCHEMBL6959559 0.86 ALOX5 (0.52) ALOX5KMT2AALDH1A1NPC1RAB9A
SCHEMBL6962860 0.84 ALOX5 (0.52) ALOX5CNR1KMT2AALDH1A1NPC1
SCHEMBL6953438 0.84 CNR1 (0.57) ALOX5CNR1KMT2AALDH1A1NPC1
SCHEMBL6958932 0.83 FPR2 (0.51) ALOX5GLO1KMT2AALDH1A1NPC1
SCHEMBL6954427 0.82 ALOX5 (0.44) ALOX5GLO1KMT2AALDH1A1NPC1

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-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