SCHEMBL6959673

SCHEMBL6959673

CCc1ccccc1NC(=S)Nc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
APAF1 O14727 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 2/20 0.50
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL6955646 0.87 ALDH1A1 (0.68) ALDH1A1MAPTGAAL3MBTL1KMT2A
SCHEMBL9453905 0.85 MAPT (0.79) ALDH1A1MAPTGAAL3MBTL1KMT2A
SCHEMBL6955653 0.82 MAPT (0.61) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL6961905 0.80 GAA (0.62) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL6952759 0.78 NPSR1 (0.67) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL23264324 0.78 ALDH1A1 (0.68) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL7082828 0.77 GAA (0.55) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL10570399 0.77 PTGS1 (0.54) ALDH1A1GAASMN1; SMN2KMT2APOLB
SCHEMBL5452442 0.77 MAPT (0.72) ALDH1A1MAPTGAAL3MBTL1KMT2A
SCHEMBL6958883 0.76 KMT2A (0.66) ALDH1A1MAPTGAAKDM4EKMT2A

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