SCHEMBL6963996

SCHEMBL6963996

COc1ccc(OC)c(CCNC(=O)NSc2nc3ccccc3s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSNK1D P48730 1/20 0.46
NPC1 O15118 1/20 0.46
KLF5 Q13887 1/20 0.46
ALOX5 P09917 1/20 0.45
RAB9A P51151 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRB P10828 1/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 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
SCHEMBL6952697 0.93 MAPT (0.48) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL6962415 0.89 MTNR1A (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6958932 0.85 FPR2 (0.51) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL6956223 0.85 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6963453 0.83 ALOX5 (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL6955473 0.82 ALOX5 (0.46) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL6953893 0.81 ALOX5 (0.48) KMT2AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6954427 0.80 ALOX5 (0.44) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL8685472 0.80 ALOX5 (0.46) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL6962860 0.80 ALOX5 (0.52) MEN1KMT2AL3MBTL1MAPTALDH1A1

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