SCHEMBL13812702

SCHEMBL13812702

O=C(Nc1cc(NC(=O)c2cc(Cl)ccc2O)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 16/20 0.94
P2RX1 P51575 11/20 0.94
P2RX4 Q99571 7/20 0.94
P2RX7 Q99572 7/20 0.94
MEN1 O00255 1/20 0.94
IKBKB O14920 1/20 0.94
CHUK O15111 1/20 0.94
KDR P35968 1/20 0.94
FLT3 P36888 1/20 0.94
KMT2A Q03164 1/20 0.94
MYLK Q15746 1/20 0.94
MAP4K5 Q9Y4K4 1/20 0.94
SLC2A1 P11166 1/20 0.78

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
Imd-0354 SCHEMBL29406220 0.97 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
Imd-0354 SCHEMBL129165 0.97 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330059 0.94 TMPRSS4 (0.90) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL30100462 0.92 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL30100386 0.92 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL131758 0.92 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14885966 0.91 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13189554 0.91 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL16707254 0.91 TMPRSS4 (0.88) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL30087037 0.90 TMPRSS4 (0.81) 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