SCHEMBL16794875

SCHEMBL16794875

CCOC(=O)n1c2ccccc2c2[nH]c(=O)c(C)c(-c3cccc(-c4nnnn4C)c3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 3/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
TACR1 P25103 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL16814655 0.87 ALDH1A1 (0.44) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794891 0.83 NTRK1 (0.41) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794889 0.80 NTRK1 (0.40) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794896 0.76 NPSR1 (0.38) ALDH1A1KDM4ENPSR1ADORA3RAB9A
SCHEMBL14397606 0.72 ALDH1A1 (0.51) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794922 0.72 MMP2 (0.36) NTRK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16794967 0.71 NTRK1 (0.48) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794866 0.71 NOD2 (0.40) NTRK1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL16794840 0.66 NTRK1 (0.43) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14397205 0.66 ALDH1A1 (0.42) NTRK1ALDH1A1KDM4EHPGDNPSR1

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