SCHEMBL13812628

SCHEMBL13812628

Cc1cc(C)c(CCOc2ccc(Cl)cc2NC(=O)c2cc(Cl)ccc2O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 9/20 0.53
▸ P2RX1 P51575 4/20 0.52
▸ TMPRSS4 Q9NRS4 1/20 0.52
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL13812686 0.91 TMPRSS4 (0.59) KCNMA1P2RX1TMPRSS4MEN1KMT2A
SCHEMBL13812625 0.86 KCNMA1 (0.56) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL13812623 0.84 KCNMA1 (0.55) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL13812624 0.83 KCNMA1 (0.53) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL13812635 0.83 KCNMA1 (0.59) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL3861646 0.81 KCNMA1 (0.56) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL13812700 0.81 KCNMA1 (0.58) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL13812648 0.81 P2RX1 (0.57) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL13812656 0.81 KCNMA1 (0.55) KCNMA1P2RX1TMPRSS4MAPTMEN1
SCHEMBL13812608 0.81 P2RX1 (0.58) KCNMA1P2RX1TMPRSS4MAPTTP53

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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