SCHEMBL13812691

SCHEMBL13812691

N#Cc1ccc(OCCc2ccccc2C(F)(F)F)c(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 14/20 0.48
▸ P2RX1 P51575 4/20 0.47
▸ GRM5 P41594 1/20 0.41
▸ P2RX4 Q99571 3/20 0.41
▸ P2RX7 Q99572 3/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MYLK Q15746 1/20 0.40
▸ MAP4K5 Q9Y4K4 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ MRGPRX1 Q96LB2 1/20 0.40

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
SCHEMBL13812629 0.91 TMPRSS4 (0.55) TMPRSS4P2RX1GRM5P2RX4P2RX7
SCHEMBL13812685 0.88 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL13812695 0.87 KCNMA1 (0.52) TMPRSS4P2RX1GRM5P2RX4P2RX7
SCHEMBL13812838 0.86 TMPRSS4 (0.55) TMPRSS4P2RX1GRM5P2RX4P2RX7
SCHEMBL13812728 0.85 TMPRSS4 (0.50) TMPRSS4P2RX1KCNMA1MEN1KMT2A
SCHEMBL13812703 0.85 TMPRSS4 (0.53) TMPRSS4P2RX1KCNMA1MEN1KDR
SCHEMBL13812687 0.83 TMPRSS4 (0.50) TMPRSS4P2RX1GRM5P2RX4P2RX7
SCHEMBL13812727 0.82 TMPRSS4 (0.51) TMPRSS4P2RX1GRM5P2RX4P2RX7
SCHEMBL13812729 0.80 TMPRSS4 (0.53) TMPRSS4P2RX1GRM5P2RX4P2RX7
SCHEMBL13812688 0.80 TMPRSS4 (0.53) TMPRSS4P2RX1GRM5P2RX4P2RX7

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
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