SCHEMBL6958151

SCHEMBL6958151

S=C(NCCc1cccs1)Nc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
LMNA P02545 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
NFKB1 P19838 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 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
SCHEMBL1520344 0.82 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6953393 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6956252 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL29353571 0.79 RAB9A (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6957663 0.79 RAB9A (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6953609 0.79 HPGD (0.52) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6961866 0.79 NPC1 (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6280318 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL10750240 0.78 ADAM17 (0.48) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL6953553 0.78 NPC1 (0.54) SMN1; SMN2NPC1RAB9ALMNAALDH1A1

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