SCHEMBL6950085

SCHEMBL6950085

O=C(O)c1csc(NC(=S)NCCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
HIF1A Q16665 1/20 0.52
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
ALOX12 P18054 3/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
BCL6 P41182 1/20 0.47
PTPN7 P35236 1/20 0.47

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
SCHEMBL8885589 0.82 ALDH1A1 (0.61) RAB9ANPC1MAOAMAOBSMN1; SMN2
SCHEMBL525241 0.81 NPC1 (0.60) RAB9ANPC1HIF1ASMN1; SMN2ALDH1A1
SCHEMBL10085259 0.80 RAB9A (0.52) RAB9ANPC1MAOAMAOBSMN1; SMN2
SCHEMBL6962348 0.79 RAB9A (0.51) RAB9ANPC1MAOAMAOBROCK2
SCHEMBL29355888 0.79 RAB9A (0.51) RAB9ANPC1MAOAMAOBSMN1; SMN2
SCHEMBL8891430 0.79 KMT2A (0.63) RAB9ANPC1MAOAMAOBSMN1; SMN2
SCHEMBL29355425 0.79 RAB9A (0.51) RAB9ANPC1MAOAMAOBSMN1; SMN2
SCHEMBL8683376 0.78 ROCK1 (0.75) RAB9ANPC1ROCK2ROCK1SMN1; SMN2
SCHEMBL6962738 0.77 ALDH1A1 (0.70) RAB9ANPC1ROCK2ROCK1SMN1; SMN2
SCHEMBL6880276 0.76 ROCK2 (0.65) ROCK2ROCK1L3MBTL1

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 3 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-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