SCHEMBL13812904

SCHEMBL13812904

Cc1ccccc1COc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 8/20 0.60
P2RX1 P51575 3/20 0.51
P2RX4 Q99571 3/20 0.51
P2RX7 Q99572 3/20 0.51
SLC2A1 P11166 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
MYLK Q15746 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
LRRK2 Q5S007 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KCNMA1 Q12791 2/20 0.47
MRGPRX4 Q96LA9 2/20 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
SCHEMBL13812905 0.90 KCNMA1 (0.57) TMPRSS4P2RX1KDM4EHTTKMT2A
SCHEMBL13812844 0.87 TMPRSS4 (0.64) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812928 0.85 TMPRSS4 (0.62) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812902 0.84 TMPRSS4 (0.59) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812920 0.84 TMPRSS4 (0.63) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812828 0.83 TMPRSS4 (0.60) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812857 0.83 TMPRSS4 (0.71) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812685 0.83 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812885 0.82 TMPRSS4 (0.63) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812921 0.81 TMPRSS4 (0.61) TMPRSS4P2RX1P2RX4P2RX7SLC2A1

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