SCHEMBL13812689

SCHEMBL13812689

O=C(Nc1cccc(OCCc2ccccc2C(F)(F)F)c1)c1cc(Cl)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 9/20 0.63
▸ TMPRSS4 Q9NRS4 12/20 0.57
▸ P2RX4 Q99571 4/20 0.57
▸ P2RX7 Q99572 4/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.57
▸ SLC2A1 P11166 1/20 0.57
▸ FADS1 O60427 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ IKBKB O14920 1/20 0.49
▸ CHUK O15111 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MYLK Q15746 1/20 0.49
▸ MAP4K5 Q9Y4K4 1/20 0.49

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
SCHEMBL13812601 0.85 P2RX1 (0.58) P2RX1TMPRSS4P2RX4P2RX7SIRT2
SCHEMBL3863657 0.83 P2RX1 (0.62) P2RX1TMPRSS4P2RX4P2RX7SIRT2
SCHEMBL13812676 0.83 P2RX1 (0.69) P2RX1TMPRSS4P2RX4P2RX7SIRT2
SCHEMBL13812838 0.83 TMPRSS4 (0.55) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13812629 0.83 TMPRSS4 (0.55) P2RX1TMPRSS4P2RX4P2RX7SIRT2
SCHEMBL13812730 0.83 TMPRSS4 (0.49) P2RX1TMPRSS4P2RX4P2RX7SIRT2
SCHEMBL13812688 0.82 TMPRSS4 (0.53) P2RX1TMPRSS4P2RX4P2RX7SIRT2
SCHEMBL13812729 0.80 TMPRSS4 (0.53) P2RX1TMPRSS4P2RX4P2RX7SLC2A1
SCHEMBL13812642 0.80 P2RX1 (0.61) P2RX1TMPRSS4P2RX4P2RX7SIRT2
SCHEMBL13812560 0.80 P2RX1 (0.56) P2RX1TMPRSS4P2RX4P2RX7SLC2A1

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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