SCHEMBL6955375

SCHEMBL6955375

COc1ccc(OC)c(CCNC(=S)Nc2ccccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 3/20 0.61
LMNA P02545 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.58
ALOX12 P18054 5/20 0.56
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6958165 0.91 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL6954647 0.87 POLB (0.64) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL6246077 0.83 ALDH1A1 (0.56) RAB9AALDH1A1NPC1MAPTKMT2A
SCHEMBL29456990 0.83 ALDH1A1 (0.56) RAB9AALDH1A1NPC1MAPTKMT2A
SCHEMBL6964982 0.82 ALDH1A1 (0.74) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL6962367 0.82 ALDH1A1 (0.69) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL6964410 0.80 POLB (0.64) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL6959257 0.79 MEN1 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTALOX12
SCHEMBL6953591 0.79 KDM4E (0.53) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL6959563 0.79 POLB (0.59) SMN1; SMN2RAB9AALDH1A1NPC1LMNA

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