SCHEMBL6958155

SCHEMBL6958155

S=C(NCCc1ccc(Cl)c(Cl)c1)Nc1nccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 5/20 0.47
KMT2A Q03164 5/20 0.47
FFAR2 O15552 1/20 0.47
MEN1 O00255 4/20 0.46
MAPK1 P28482 4/20 0.46
POLB P06746 1/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.45
NFKB1 P19838 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 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 0.84 NPC1 (0.56) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6952134 0.84 SMN1; SMN2 (0.48) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6280318 0.82 SMN1; SMN2 (0.55) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6957129 0.82 SMN1; SMN2 (0.53) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6951605 0.81 SMN1; SMN2 (0.46) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6284717 0.81 KDM4E (0.57) KDM4ESMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL29356264 0.81 GAA (0.63) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL1520344 0.81 SMN1; SMN2 (0.71) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6958536 0.80 FAAH (0.55) KDM4EMAPTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL6953609 0.80 HPGD (0.52) KDM4EMAPTSMN1; SMN2L3MBTL1LMNA

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
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