SCHEMBL6956223

SCHEMBL6956223

COc1cccc(CCNC(=O)NSc2nc3ccccc3s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLO1 Q04760 1/20 0.48
CNR1 P21554 1/20 0.48
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5 P09917 1/20 0.47
MAOB P27338 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
DHODH Q02127 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45

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
SCHEMBL6958932 0.89 FPR2 (0.51) MAPTLMNAKDM4EGLO1RAB9A
SCHEMBL6964076 0.87 ALOX5 (0.49) MAPTCNR1RAB9APOLBALOX5
SCHEMBL6963863 0.85 LTA4H (0.52) MAPTCNR1RAB9ATP53POLB
SCHEMBL6963617 0.85 CSNK1D (0.54) MAPTCNR1RAB9ATP53SMN1; SMN2
SCHEMBL6955042 0.85 ALOX5 (0.51) MAPTKDM4EGLO1RAB9APOLB
SCHEMBL6952697 0.85 MAPT (0.48) MAPTLMNAKDM4EGLO1TP53
SCHEMBL6963996 0.85 MEN1 (0.50) MAPTLMNAKDM4EGLO1RAB9A
SCHEMBL6955473 0.83 ALOX5 (0.46) MAPTLMNAKDM4EGLO1RAB9A
SCHEMBL6963453 0.83 ALOX5 (0.49) MAPTLMNAKDM4EGLO1RAB9A
SCHEMBL6962415 0.81 MTNR1A (0.50) MAPTLMNAGLO1CNR1RAB9A

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