SCHEMBL13812909

SCHEMBL13812909

O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC(C(=O)O)C1)c1cc(Cl)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 5/20 0.58
P2RX1 P51575 3/20 0.49
P2RX4 Q99571 3/20 0.49
P2RX7 Q99572 3/20 0.49
NOTUM Q6P988 1/20 0.48
XPO1 O14980 1/20 0.48
KDR P35968 6/20 0.48
LCK P06239 4/20 0.48
TEK Q02763 4/20 0.48
SLC2A1 P11166 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
FLT3 P36888 1/20 0.47
MYLK Q15746 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
SRPK2 P78362 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
SRPK3 Q9UPE1 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
SCHEMBL13812907 0.91 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7XPO1
SCHEMBL330021 0.87 TMPRSS4 (0.69) TMPRSS4P2RX1P2RX4P2RX7XPO1
SCHEMBL13812851 0.81 TP53 (0.63) TMPRSS4P2RX1P2RX4P2RX7XPO1
SCHEMBL329953 0.80 GAA (0.67) TMPRSS4SRPK1ALDH1A1TSHRNPSR1
SCHEMBL13812897 0.80 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX4P2RX7XPO1
SCHEMBL330248 0.75 CYP1A2 (0.61) TMPRSS4XPO1KDRLCKTEK
SCHEMBL330166 0.75 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL330023 0.74 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL18341193 0.73 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7KDR
SCHEMBL330413 0.73 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7KDR

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