SCHEMBL13812640

SCHEMBL13812640

O=C(Nc1cc(OCCc2ccccc2)c(Cl)cc1Cl)c1cc(Cl)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TMPRSS4 Q9NRS4 2/20 0.51
KCNMA1 Q12791 6/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPK1 P28482 3/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
KDR P35968 2/20 0.46
HIF1A Q16665 2/20 0.46
AURKA O14965 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL13812627 0.88 MEN1 (0.55) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL3861646 0.88 KCNMA1 (0.56) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL13812701 0.85 KCNMA1 (0.53) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL13812569 0.85 MEN1 (0.52) MEN1KMT2ATMPRSS4KCNMA1MAPK1
SCHEMBL13812704 0.85 MEN1 (0.49) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL13812598 0.83 KCNMA1 (0.51) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL13812700 0.83 KCNMA1 (0.58) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL13812706 0.83 MEN1 (0.52) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL13812622 0.83 KCNMA1 (0.55) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1
SCHEMBL13812900 0.82 KCNMA1 (0.50) MEN1KMT2ATMPRSS4KCNMA1ALDH1A1

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 US disclosed