SCHEMBL6964732

SCHEMBL6964732

CCC(CNC(=S)Nc1nccs1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
GAA P10253 2/20 0.54
NFKB1 P19838 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL6284442 0.80 NPC1 (0.57) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
Benzene SCHEMBL28126190 0.79 SMN1; SMN2 (0.60) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL5373992 0.75 ALDH1A1 (0.55) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL5455503 0.75 KDM4E (0.70) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL9372216 0.74 ALDH1A1 (0.48) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL7130164 0.73 SMN1; SMN2 (0.68) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL1520344 0.73 SMN1; SMN2 (0.71) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6959507 0.72 LMNA (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6953449 0.72 SMN1; SMN2 (0.48) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL18939372 0.72 CYP1A2 (0.81) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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