SCHEMBL13812629

SCHEMBL13812629

O=C(Nc1cc(Cl)ccc1OCCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 12/20 0.55
▸ KCNMA1 Q12791 4/20 0.49
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ P2RX1 P51575 3/20 0.46
▸ P2RX4 Q99571 3/20 0.46
▸ P2RX7 Q99572 3/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ MYLK Q15746 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
SCHEMBL13812685 0.94 TMPRSS4 (0.65) TMPRSS4KCNMA1MEN1KMT2AP2RX1
SCHEMBL13812695 0.94 KCNMA1 (0.52) TMPRSS4KCNMA1GAAMEN1KMT2A
SCHEMBL13812838 0.92 TMPRSS4 (0.55) TMPRSS4KCNMA1GAAMEN1KMT2A
SCHEMBL13812728 0.92 TMPRSS4 (0.50) TMPRSS4KCNMA1GAAMEN1KMT2A
SCHEMBL13812691 0.91 TMPRSS4 (0.48) TMPRSS4KCNMA1MEN1KMT2AP2RX1
SCHEMBL13812687 0.89 TMPRSS4 (0.50) TMPRSS4KCNMA1GAAMEN1KMT2A
SCHEMBL13812727 0.88 TMPRSS4 (0.51) TMPRSS4KCNMA1GAAMEN1KMT2A
SCHEMBL13812729 0.88 TMPRSS4 (0.53) TMPRSS4KCNMA1GAAMEN1KMT2A
SCHEMBL13812653 0.87 KCNMA1 (0.55) TMPRSS4KCNMA1GAAMEN1KMT2A
SCHEMBL13812654 0.87 KCNMA1 (0.54) TMPRSS4KCNMA1GAAMEN1KMT2A

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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