SCHEMBL6963268

SCHEMBL6963268

COC(=O)[C@H](Cc1c(F)cccc1F)NC(=S)Nc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 4/20 0.44
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 5/20 0.43
NPC1 O15118 4/20 0.43
HSPA5 P11021 4/20 0.43
NFKB1 P19838 2/20 0.43
AGTR1 P30556 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PKM P14618 4/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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 0.89 NPC1 (0.51) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6952333 0.84 PKM (0.57) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6952330 0.84 PKM (0.57) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6958427 0.80 MEN1 (0.47) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6956947 0.80 FFAR2 (0.53) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6955103 0.80 NOS3 (0.48) SMN1; SMN2HTTRAB9AALDH1A1NPC1
SCHEMBL6961584 0.78 EGFR (0.42) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6960135 0.72 HSPA1A (0.60) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6960139 0.72 HSPA1A (0.60) SMN1; SMN2HTTRAB9AALDH1A1GAA
SCHEMBL6961866 0.72 NPC1 (0.55) SMN1; SMN2HTTRAB9AALDH1A1GAA

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