SCHEMBL16794866

SCHEMBL16794866

CCOC(=O)n1c2ccccc2c2[nH]c(=O)c(C)c(-c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
NTRK1 P04629 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
AGTR1 P30556 3/20 0.37
PCSK9 Q8NBP7 2/20 0.37
ALOX5 P09917 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL16794889 0.79 NTRK1 (0.40) NTRK1ALOX5KMT2AMEN1CA1
SCHEMBL16814655 0.78 ALDH1A1 (0.44) NTRK1ALOX5GAAKMT2AMEN1
SCHEMBL16794891 0.76 NTRK1 (0.41) NTRK1ALOX5GAAKMT2AMEN1
SCHEMBL14397606 0.75 ALDH1A1 (0.51) NTRK1GAAKMT2AMEN1L3MBTL1
SCHEMBL16794875 0.71 NTRK1 (0.37) NTRK1ALOX5TUBB4ATUBBTUBA3C
SCHEMBL16794815 0.71 PKM (0.41) NOD2NOD1NTRK1PSEN1PSEN2
SCHEMBL16794967 0.70 NTRK1 (0.48) NTRK1ALOX5TUBB4ATUBBTUBA3C
SCHEMBL14397205 0.68 ALDH1A1 (0.42) NTRK1GAAPTGS2KDM4ELMNA
SCHEMBL14397210 0.67 GAA (0.45) NTRK1GAAKMT2AMEN1L3MBTL1
SCHEMBL11901256 0.65 NOD2 (0.56) NOD2NOD1PSEN1PSEN2APH1B

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
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed