SCHEMBL6958427

SCHEMBL6958427

COC(=O)[C@H](Cc1ccccc1Cl)NC(=S)Nc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 2/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6963091 0.88 NPC1 (0.51) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL6952330 0.85 PKM (0.57) MEN1KMT2AL3MBTL1PKMALDH1A1
SCHEMBL6952333 0.85 PKM (0.57) MEN1KMT2AL3MBTL1PKMALDH1A1
SCHEMBL6956947 0.83 FFAR2 (0.53) MEN1KMT2AL3MBTL1PKMALDH1A1
SCHEMBL6963268 0.80 SMN1; SMN2 (0.44) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL6955103 0.77 NOS3 (0.48) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL6961584 0.75 EGFR (0.42) MEN1KMT2AL3MBTL1PKMALDH1A1
SCHEMBL6960139 0.74 HSPA1A (0.60) MEN1KMT2AL3MBTL1PKMALDH1A1
SCHEMBL6960135 0.74 HSPA1A (0.60) MEN1KMT2AL3MBTL1PKMALDH1A1
SCHEMBL32677006 0.73 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2NPC1CYP2C9

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-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