SCHEMBL6952134

SCHEMBL6952134

S=C(NCCc1cc(Cl)cc(Cl)c1)Nc1nccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR2 O15552 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HTT P42858 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
GAA P10253 2/20 0.45
NFKB1 P19838 2/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL6965016 0.88 NPC1 (0.56) SMN1; SMN2L3MBTL1FFAR2MAPTKDM4E
SCHEMBL6958155 0.84 KDM4E (0.49) SMN1; SMN2L3MBTL1FFAR2MAPTKDM4E
SCHEMBL6963358 0.83 MEN1 (0.48) SMN1; SMN2L3MBTL1FFAR2MAPTKDM4E
SCHEMBL1520344 0.81 SMN1; SMN2 (0.71) SMN1; SMN2L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL6280318 0.80 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1FFAR2MAPTKDM4E
SCHEMBL29356264 0.79 GAA (0.63) SMN1; SMN2L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL6284717 0.79 KDM4E (0.57) SMN1; SMN2L3MBTL1KDM4EALDH1A1NPSR1
SCHEMBL6953609 0.78 HPGD (0.52) SMN1; SMN2L3MBTL1FFAR2MAPTKDM4E
SCHEMBL6953393 0.78 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1KDM4EALDH1A1NPSR1
SCHEMBL6963378 0.78 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1MAPTKDM4EALDH1A1

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