SCHEMBL6953609

SCHEMBL6953609

S=C(NCCc1c(Cl)cccc1Cl)Nc1nccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.50
NFKB1 P19838 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL6362179 0.92 NPC1 (0.50) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6951605 0.89 SMN1; SMN2 (0.46) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6953553 0.86 NPC1 (0.54) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL29352046 0.86 NPC1 (0.54) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6961866 0.85 NPC1 (0.55) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6963817 0.81 KDM4E (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6965016 0.81 NPC1 (0.56) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL1520344 0.80 SMN1; SMN2 (0.71) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6958155 0.80 KDM4E (0.49) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6953393 0.80 SMN1; SMN2 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1

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 7 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
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed