SCHEMBL13812928

SCHEMBL13812928

Cc1ccc(COc2ccc(C(F)(F)F)cc2NC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 9/20 0.62
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
ALDH1A1 P00352 1/20 0.54
P2RX1 P51575 4/20 0.53
P2RX4 Q99571 3/20 0.53
P2RX7 Q99572 3/20 0.53
LRRK2 Q5S007 3/20 0.52
KMT2A Q03164 3/20 0.50
KCNMA1 Q12791 2/20 0.50
MEN1 O00255 2/20 0.50
SLC2A1 P11166 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
MYLK Q15746 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
HTT P42858 1/20 0.47
MRGPRX4 Q96LA9 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
SCHEMBL13812921 0.91 TMPRSS4 (0.61) TMPRSS4P2RX1P2RX4P2RX7LRRK2
SCHEMBL13812844 0.90 TMPRSS4 (0.64) TMPRSS4KDM4EHPGDP2RX1P2RX4
SCHEMBL13812895 0.90 KCNMA1 (0.58) TMPRSS4KDM4EHPGDALDH1A1P2RX1
SCHEMBL13812902 0.90 TMPRSS4 (0.59) TMPRSS4KDM4EHPGDALDH1A1P2RX1
SCHEMBL13812896 0.90 TMPRSS4 (0.59) TMPRSS4KDM4EHPGDALDH1A1P2RX1
SCHEMBL13812908 0.90 TMPRSS4 (0.61) TMPRSS4KDM4EP2RX1P2RX4P2RX7
SCHEMBL13812920 0.87 TMPRSS4 (0.63) TMPRSS4HPGDP2RX1P2RX4P2RX7
SCHEMBL330296 0.85 TMPRSS4 (0.65) TMPRSS4KDM4EHPGDALDH1A1P2RX1
SCHEMBL13812904 0.85 TMPRSS4 (0.60) TMPRSS4KDM4EHPGDALDH1A1P2RX1
SCHEMBL13812857 0.85 TMPRSS4 (0.71) TMPRSS4KDM4EHPGDP2RX1P2RX4

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