SCHEMBL6963209

SCHEMBL6963209

COC(=S)Nc1ccccc1.NC(O)=S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TAS2R38 P59533 3/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
TYR P14679 1/20 0.59
TSHR P16473 1/20 0.59
HPGD P15428 2/20 0.55
CYP3A4 P08684 2/20 0.52
PHGDH O43175 1/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
GAA P10253 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
CYP2C9 P11712 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.48

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
SCHEMBL1615892 0.94 TAS2R38 (0.60) ALDH1A1TAS2R38HSD17B10TP53TYR
SCHEMBL4399387 0.82 SMN1; SMN2 (0.46) ALDH1A1TAS2R38HSD17B10TP53TYR
SCHEMBL8977679 0.82 MAPT (0.52) ALDH1A1GAAL3MBTL1RAB9ANPC1
SCHEMBL8977748 0.82 CYP1A2 (0.61) ALDH1A1TP53HPGDCYP3A4CYP1A2
SCHEMBL26676705 0.81 HPGD (0.67) ALDH1A1TAS2R38HSD17B10TP53TYR
SCHEMBL8977667 0.81 ALDH1A1 (0.55) ALDH1A1HPGDRAB9ANPC1LMNA
SCHEMBL8103756 0.80 SMN1; SMN2 (0.52) ALDH1A1HPGDGAARAB9ANPC1
SCHEMBL3064867 0.79 ALDH1A1 (0.59) ALDH1A1TAS2R38HSD17B10TP53TYR
Ethane SCHEMBL3723781 0.78 TAS2R38 (0.64) ALDH1A1TAS2R38HSD17B10TP53TYR
SCHEMBL1276486 0.78 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10TP53TYR

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