SCHEMBL6963338

SCHEMBL6963338

COC(=O)C(Cc1ccccc1)NC(=S)Nc1nc(C)cs1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
GLA P06280 1/20 0.57
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TP53 P04637 1/20 0.54
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
ATM Q13315 2/20 0.49
POLB P06746 3/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6963333 1.00 ALDH1A1 (0.57) ALDH1A1LMNAGLARAB9ANPC1
SCHEMBL6957155 0.85 ALDH1A1 (0.53) ALDH1A1LMNAGLARAB9AL3MBTL1
SCHEMBL6963168 0.85 ALDH1A1 (0.53) ALDH1A1LMNAGLARAB9AMMP1
SCHEMBL6963174 0.85 ALDH1A1 (0.53) ALDH1A1LMNAGLARAB9AMMP1
SCHEMBL6957153 0.85 ALDH1A1 (0.53) ALDH1A1LMNAGLARAB9AL3MBTL1
SCHEMBL6963473 0.83 ALDH1A1 (0.56) ALDH1A1LMNAGLARAB9ANPC1
SCHEMBL6963475 0.83 ALDH1A1 (0.56) ALDH1A1LMNAGLARAB9ANPC1
SCHEMBL6952333 0.82 PKM (0.57) ALDH1A1LMNAGLARAB9ANPC1
SCHEMBL6952330 0.82 PKM (0.57) ALDH1A1LMNAGLARAB9ANPC1
SCHEMBL6958839 0.81 ALDH1A1 (0.55) ALDH1A1LMNAGLARAB9ANPC1

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