SCHEMBL6965016

SCHEMBL6965016

S=C(NCCc1cccc(Cl)c1)Nc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.49
ALOX12 P18054 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 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
SCHEMBL6952134 0.88 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL29355435 0.86 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL6963378 0.86 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL6964163 0.86 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL1520344 0.85 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL6958155 0.84 KDM4E (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL6956865 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL29352033 0.83 KDM4E (0.53) NPC1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6963302 0.83 KDM4E (0.53) NPC1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6963866 0.82 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1

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