SCHEMBL16794840

SCHEMBL16794840

CCOC(=O)n1c(=O)c(C)c(-c2cccc(I)c2)c2c1c1ccccc1n2C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 5/20 0.35
RAB9A P51151 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 3/20 0.35

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
SCHEMBL16794891 0.83 NTRK1 (0.41) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794850 0.82 NTRK1 (0.38) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794856 0.75 LMNA (0.37) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16814655 0.73 ALDH1A1 (0.44) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794889 0.68 NTRK1 (0.40) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29469528 0.68 NTRK1 (0.58) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1002968 0.68 NTRK1 (0.58) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL25327891 0.66 HPGD (0.55) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794875 0.66 NTRK1 (0.37) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20696083 0.64 MEN1 (0.54) NTRK1ALDH1A1MEN1KMT2AL3MBTL1

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