SCHEMBL13812875

SCHEMBL13812875

O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 7/20 0.59
▸ LRRK2 Q5S007 3/20 0.57
▸ TMPRSS4 Q9NRS4 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ PTGER1 P34995 2/20 0.54
▸ IRAK4 Q9NWZ3 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PPIA P62937 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL13812844 0.90 TMPRSS4 (0.64) KCNMA1LRRK2TMPRSS4KMT2AMEN1
SCHEMBL3861646 0.88 KCNMA1 (0.56) KCNMA1TMPRSS4KMT2AMEN1TSHR
SCHEMBL13812895 0.88 KCNMA1 (0.58) KCNMA1TMPRSS4KMT2AMEN1TSHR
SCHEMBL13812903 0.88 KCNMA1 (0.55) KCNMA1TMPRSS4KMT2AMEN1TSHR
SCHEMBL13812622 0.87 KCNMA1 (0.55) KCNMA1TMPRSS4KMT2AMEN1TSHR
SCHEMBL13812921 0.85 TMPRSS4 (0.61) KCNMA1LRRK2TMPRSS4KMT2AMEN1
SCHEMBL18341186 0.85 LRRK2 (0.60) LRRK2TMPRSS4GAAPTGER1
SCHEMBL13812923 0.85 TMPRSS4 (0.60) KCNMA1LRRK2TMPRSS4KMT2AMEN1
SCHEMBL13812905 0.84 KCNMA1 (0.57) KCNMA1TMPRSS4KMT2AMEN1TSHR
SCHEMBL13812671 0.84 KCNMA1 (0.56) KCNMA1TMPRSS4KMT2AMEN1TSHR

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
US-8796267-B2 Oxazolidinone derivatives and methods of use CONCERT PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
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
Send feedback