SCHEMBL6955646

SCHEMBL6955646

CCc1ccccc1NC(=S)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
GAA P10253 2/20 0.68
MAPT P10636 2/20 0.68
CYP3A4 P08684 1/20 0.59
TAS2R38 P59533 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 1/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52

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 0.91 MAPT (0.79) ALDH1A1GAAMAPTCYP3A4KMT2A
SCHEMBL6959673 0.87 ALDH1A1 (0.60) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL6955653 0.87 MAPT (0.61) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL6965795 0.84 KMT2A (0.64) ALDH1A1GAAMAPTKMT2ANPSR1
SCHEMBL23264324 0.83 ALDH1A1 (0.68) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL28109166 0.83 ALDH1A1 (0.59) ALDH1A1GAAMAPTCYP3A4TAS2R38
SCHEMBL5452442 0.82 MAPT (0.72) ALDH1A1GAAMAPTCYP3A4KMT2A
SCHEMBL10909195 0.82 ALDH1A1 (0.66) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL6958883 0.81 KMT2A (0.66) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL16041474 0.81 MAPT (1.00) ALDH1A1GAAMAPTCYP3A4KMT2A

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