SCHEMBL6955653

SCHEMBL6955653

CCc1ccccc1NC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HTT P42858 3/20 0.61
GAA P10253 3/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.54
NOX1 Q9Y5S8 1/20 0.53
MEN1 O00255 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
EPHX1 P07099 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL9453905 0.85 MAPT (0.79) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL6965795 0.84 KMT2A (0.64) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL6958883 0.83 KMT2A (0.66) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL6959673 0.82 ALDH1A1 (0.60) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL23264324 0.78 ALDH1A1 (0.68) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL11512120 0.77 ALDH1A1 (0.54) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL5452442 0.77 MAPT (0.72) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL8956349 0.76 NOX1 (0.85) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL5081276 0.76 NOX1 (0.85) MAPTHTTGAAALDH1A1KMT2A

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-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