SCHEMBL13812684

SCHEMBL13812684

COc1ccccc1CCOc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 7/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ GAA P10253 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ METAP2 P50579 1/20 0.52
▸ P2RX1 P51575 1/20 0.50
▸ G6PD P11413 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ HPGD P15428 1/20 0.48

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
SCHEMBL13812623 0.89 KCNMA1 (0.55) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL13812654 0.89 KCNMA1 (0.54) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL13812892 0.88 KCNMA1 (0.51) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL13812653 0.87 KCNMA1 (0.55) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL13812573 0.86 KCNMA1 (0.53) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL13812629 0.84 TMPRSS4 (0.55) KCNMA1KDM4EGAAMEN1KMT2A
SCHEMBL13812891 0.84 KCNMA1 (0.47) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL3861646 0.84 KCNMA1 (0.56) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL13812728 0.82 TMPRSS4 (0.50) KCNMA1KDM4EHIF1AGAAMEN1
SCHEMBL13812626 0.82 KCNMA1 (0.57) KCNMA1KDM4EHIF1AGAAMEN1

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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