SCHEMBL6965019

SCHEMBL6965019

COc1ccccc1CCNC(=S)Nc1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALOX12 P18054 4/20 0.50
LMNA P02545 2/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
QPCT Q16769 1/20 0.45
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6952393 0.90 MAPK1 (0.50) GAAMEN1KMT2AALOX12LMNA
SCHEMBL6962622 0.87 GAA (0.45) GAAMEN1KMT2AALOX12LMNA
SCHEMBL6959257 0.85 MEN1 (0.50) GAAMEN1KMT2AALOX12LMNA
SCHEMBL6952474 0.85 MEN1 (0.53) GAAMEN1KMT2AALOX12LMNA
SCHEMBL6963250 0.84 ALOX12 (0.50) GAAMEN1KMT2AALOX12LMNA
SCHEMBL6962193 0.82 GAA (0.44) GAAMEN1KMT2AALOX12CYP1A2
SCHEMBL6965203 0.82 MEN1 (0.47) GAAMEN1KMT2AALOX12LMNA
SCHEMBL6956364 0.82 KDM4E (0.48) MEN1KMT2AALOX12LMNAQPCT
SCHEMBL9579768 0.82 NPC1 (0.44) GAAMEN1KMT2AALOX12LMNA
SCHEMBL6954647 0.80 POLB (0.64) GAAMEN1KMT2AALOX12LMNA

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