SCHEMBL6963302

SCHEMBL6963302

COc1cccc(CCNC(=S)Nc2nccs2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
CNR1 P21554 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
SCHEMBL29352033 1.00 KDM4E (0.53) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6963866 0.90 SMN1; SMN2 (0.56) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6958741 0.86 LMNA (0.62) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6963378 0.85 SMN1; SMN2 (0.53) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9579768 0.84 NPC1 (0.44) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL29355435 0.83 ALDH1A1 (0.54) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6964163 0.83 ALDH1A1 (0.54) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6965016 0.83 NPC1 (0.56) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL1520344 0.82 SMN1; SMN2 (0.71) KDM4EGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6957303 0.81 KDM4E (0.50) KDM4EGAAMAPTSMN1; SMN2L3MBTL1

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 5 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