SCHEMBL13812671

SCHEMBL13812671

O=C(Nc1cc(Cl)ccc1OCC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 9/20 0.56
▸ TMPRSS4 Q9NRS4 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ IRAK4 Q9NWZ3 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDR P35968 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ P2RX1 P51575 2/20 0.47

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
SCHEMBL13812650 0.88 KCNMA1 (0.53) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812827 0.85 KCNMA1 (0.60) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812875 0.84 KCNMA1 (0.59) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL3861646 0.82 KCNMA1 (0.56) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812622 0.81 KCNMA1 (0.55) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812654 0.78 KCNMA1 (0.54) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812905 0.78 KCNMA1 (0.57) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812635 0.77 KCNMA1 (0.59) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812656 0.76 KCNMA1 (0.55) KCNMA1TMPRSS4MAPTMEN1USP2
SCHEMBL13812623 0.76 KCNMA1 (0.55) KCNMA1TMPRSS4MAPTMEN1USP2

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
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