SCHEMBL13812719

SCHEMBL13812719

O=C(Nc1ccc(-c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2C(F)(F)F)c(C(F)(F)F)c1)c1cc(Cl)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 13/20 0.85
P2RX1 P51575 10/20 0.71
P2RX4 Q99571 6/20 0.71
P2RX7 Q99572 6/20 0.71
MEN1 O00255 1/20 0.67
IKBKB O14920 1/20 0.67
CHUK O15111 1/20 0.67
KDR P35968 1/20 0.67
FLT3 P36888 1/20 0.67
KMT2A Q03164 1/20 0.67
MYLK Q15746 1/20 0.67
MAP4K5 Q9Y4K4 1/20 0.67
SLC2A1 P11166 1/20 0.67

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
SCHEMBL14198842 0.93 TMPRSS4 (0.74) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14885891 0.92 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330282 0.91 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330128 0.91 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14886085 0.88 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330225 0.88 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL18341120 0.88 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL23303643 0.87 TMPRSS4 (0.81) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13189549 0.86 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14886006 0.85 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1

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