SCHEMBL6965795

SCHEMBL6965795

CCc1ccccc1NC(=S)Nc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
ALOX12 P18054 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL6955653 0.84 MAPT (0.61) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL6955646 0.84 ALDH1A1 (0.68) KMT2AALDH1A1MAPTNPSR1GAA
SCHEMBL9453905 0.82 MAPT (0.79) KMT2AALDH1A1MAPTALOX12NPSR1
SCHEMBL16566574 0.81 ALDH1A1 (0.65) KMT2AALDH1A1MAPTMEN1ALOX12
SCHEMBL16566486 0.81 ALDH1A1 (0.69) KMT2AALDH1A1MAPTMEN1ALOX12
SCHEMBL29481122 0.80 IDO1 (0.79) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL26991 0.80 IDO1 (0.79) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL6958883 0.79 KMT2A (0.66) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL3054417 0.79 NPC1 (0.60) ALDH1A1
SCHEMBL5454961 0.78 MAOB (0.75) KMT2AALDH1A1MAPTMEN1

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 4 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-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