SCHEMBL7082828

SCHEMBL7082828

CCc1ccccc1NC(=S)Nc1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
THRB P10828 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.45
MIF P14174 1/20 0.45
NOTUM Q6P988 1/20 0.44

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
SCHEMBL6952759 0.85 NPSR1 (0.67) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL9453905 0.81 MAPT (0.79) GAAALDH1A1MAPTKMT2ANPSR1
SCHEMBL6961905 0.79 GAA (0.62) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL6959673 0.77 ALDH1A1 (0.60) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL18311282 0.75 KMT2A (0.60) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL6957744 0.74 ALDH1A1 (0.56) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL6905305 0.74 GAA (0.56) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL23264324 0.73 ALDH1A1 (0.68) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL6955646 0.73 ALDH1A1 (0.68) GAAALDH1A1MAPTKMT2ANPSR1
SCHEMBL6900443 0.73 GAA (0.55) GAAALDH1A1MAPTKMT2AMEN1

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