SCHEMBL5571906

SCHEMBL5571906

O=C(O)c1cc(-c2cccs2)c(-c2cccs2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
KDM4E B2RXH2 5/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
NOTUM Q6P988 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
PTPN1 P18031 1/20 0.42
GPR35 Q9HC97 3/20 0.42
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 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
SCHEMBL6420433 0.85 ALDH1A1 (0.49) KDM4ELMNAALDH1A1HPGDNOTUM
SCHEMBL14833724 0.76 ALDH1A1 (0.41) DAOKDM4ELMNAALDH1A1HPGD
SCHEMBL15697552 0.75 RIPK1 (0.62) DAOGPR35
SCHEMBL5569527 0.74 ALDH1A1 (0.48) DAOKDM4ELMNAALDH1A1HPGD
SCHEMBL5571907 0.73 ALDH1A1 (0.50) DAOKDM4ELMNAALDH1A1HPGD
SCHEMBL1823757 0.73 GPR35 (0.52) DAOKDM4ELMNAALDH1A1HPGD
SCHEMBL498569 0.72 KDM4E (0.49) DAOKDM4ELMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL1825977 0.72 GPR35 (0.51) DAOKDM4ELMNAALDH1A1HPGD
SCHEMBL1761399 0.72 ALDH1A1 (0.71) DAOKDM4ELMNAALDH1A1HPGD
SCHEMBL1780392 0.72 MEN1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819719-A2 OLIGONUCLEOTIDE PROBES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2007-08-22 EP disclosed
WO-2006051397-A2 OLIGONUCLEOTIDE PROBES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2006-05-18 WO disclosed