SCHEMBL5153260

SCHEMBL5153260

CCCCn1c(CN(Cc2ccccc2)Cc2ccc(OC)c(CO)c2)cnc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
C5AR1 P21730 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
HSD11B1 P28845 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4764384 0.90 MEN1 (0.44) MEN1KMT2APOLBLMNATDP1
SCHEMBL5135367 0.88 C5AR1 (0.35) MEN1KMT2APOLBLMNATDP1
SCHEMBL5135870 0.87 MEP1B (0.38) MEN1KMT2APOLBLMNATDP1
SCHEMBL5135862 0.87 BCHE (0.41) TSHRACHEBCHE
SCHEMBL5071535 0.86 TSHR (0.45) POLBC5AR1TSHRHSD11B1
SCHEMBL5137555 0.85 HTT (0.42) MEN1KMT2APOLBLMNATDP1
SCHEMBL5072318 0.84 TSHR (0.40) MEN1KMT2ALMNATSHRL3MBTL1
SCHEMBL14415583 0.84 TSHR (0.40) MEN1KMT2APOLBLMNATDP1
SCHEMBL5138093 0.84 TSHR (0.43) MEN1KMT2ALMNATSHRL3MBTL1
SCHEMBL5072278 0.83 TSHR (0.51) LMNAC5AR1TSHRACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed