SCHEMBL13812682

SCHEMBL13812682

Cc1cc(C)c(OCCc2ccccc2C(F)(F)F)c(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 13/20 0.50
▸ P2RX1 P51575 5/20 0.43
▸ KCNMA1 Q12791 3/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ P2RX4 Q99571 3/20 0.42
▸ P2RX7 Q99572 3/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MYLK Q15746 1/20 0.41
▸ MAP4K5 Q9Y4K4 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13812695 0.87 KCNMA1 (0.52) TMPRSS4P2RX1KCNMA1GRM5P2RX4
SCHEMBL13812729 0.86 TMPRSS4 (0.53) TMPRSS4P2RX1KCNMA1GRM5P2RX4
SCHEMBL13812727 0.85 TMPRSS4 (0.51) TMPRSS4P2RX1KCNMA1GRM5P2RX4
SCHEMBL13812830 0.85 TMPRSS4 (0.58) TMPRSS4P2RX1KCNMA1GRM5P2RX4
SCHEMBL13812688 0.85 TMPRSS4 (0.53) TMPRSS4P2RX1KCNMA1GRM5P2RX4
SCHEMBL13812645 0.84 MEN1 (0.49) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL13812687 0.84 TMPRSS4 (0.50) TMPRSS4P2RX1KCNMA1GRM5P2RX4
SCHEMBL13812710 0.83 TMPRSS4 (0.52) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL13812822 0.83 TMPRSS4 (0.50) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL13812629 0.83 TMPRSS4 (0.55) TMPRSS4P2RX1KCNMA1GRM5P2RX4

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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