SCHEMBL6960263

SCHEMBL6960263

CCc1ccccc1NC(=S)Nc1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL9453905 0.81 MAPT (0.79) GAAMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6961905 0.79 GAA (0.62) GAAMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL8892501 0.78 MAPT (0.55) GAAMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6956097 0.76 NPC1 (0.57) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL6952759 0.76 NPSR1 (0.67) GAAMAPTALDH1A1KMT2AHTT
SCHEMBL6906056 0.75 MAPT (0.49) GAAMAPTALDH1A1KMT2ATSHR
SCHEMBL6959673 0.74 ALDH1A1 (0.60) GAAMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6957744 0.74 ALDH1A1 (0.56) GAAMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL23264324 0.73 ALDH1A1 (0.68) GAAMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6955646 0.73 ALDH1A1 (0.68) GAAMAPTALDH1A1KMT2AL3MBTL1

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