SCHEMBL13812681

SCHEMBL13812681

O=C(Nc1cc(C(F)(F)F)cc(Cl)c1OCCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 14/20 0.59
▸ P2RX1 P51575 7/20 0.55
▸ P2RX4 Q99571 5/20 0.55
▸ P2RX7 Q99572 5/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ IKBKB O14920 1/20 0.53
▸ CHUK O15111 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MYLK Q15746 1/20 0.53
▸ MAP4K5 Q9Y4K4 1/20 0.53
▸ SLC2A1 P11166 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.46
▸ CHRNA7 P36544 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ HSPH1 Q92598 1/20 0.42

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
SCHEMBL13812842 0.97 TMPRSS4 (0.57) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812690 0.93 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812831 0.90 TMPRSS4 (0.56) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812711 0.86 TMPRSS4 (0.64) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812830 0.85 TMPRSS4 (0.58) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL4209815 0.85 TMPRSS4 (0.59) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812721 0.85 KCNMA1 (0.48) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812538 0.84 TMPRSS4 (0.64) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812821 0.84 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL4216160 0.81 TMPRSS4 (0.60) 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
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