SCHEMBL6958883

SCHEMBL6958883

CCc1ccccc1NC(=S)Nc1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
GAA P10253 3/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.62
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.54
RAB9A P51151 2/20 0.53
MIF P14174 1/20 0.53
NPC1 O15118 1/20 0.51

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 0.89 MAPT (0.79) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL29635526 0.84 ALDH1A1 (0.77) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL5450559 0.84 ALDH1A1 (0.77) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL29635527 0.84 ALDH1A1 (0.77) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL6955653 0.83 MAPT (0.61) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL23264324 0.81 ALDH1A1 (0.68) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL6955646 0.81 ALDH1A1 (0.68) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL5452442 0.81 MAPT (0.72) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL16041474 0.79 MAPT (1.00) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL11541440 0.79 GAA (0.70) KMT2AGAAALDH1A1MAPTMEN1

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