SCHEMBL6963358

SCHEMBL6963358

S=C(NCCc1cc(Cl)cc(Cl)c1Cl)Nc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41

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 0.83 SMN1; SMN2 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6953553 0.81 NPC1 (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6951605 0.81 SMN1; SMN2 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL29352046 0.81 NPC1 (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6958155 0.77 KDM4E (0.49) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6953609 0.77 HPGD (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6965331 0.76 MAPT (0.40) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6965016 0.76 NPC1 (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6963236 0.76 ALDH1A1 (0.60) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6962392 0.75 NPC1 (0.53) MEN1KMT2ANPC1RAB9AKDM4E

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