SCHEMBL16794891

SCHEMBL16794891

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSF1R P07333 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 5/20 0.35
GAA P10253 3/20 0.35
MDM2 Q00987 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2C9 P11712 2/20 0.34

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 0.91 ALDH1A1 (0.44) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794856 0.90 LMNA (0.37) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794889 0.85 NTRK1 (0.40) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794840 0.83 NTRK1 (0.43) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794875 0.83 NTRK1 (0.37) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14397606 0.77 ALDH1A1 (0.51) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794967 0.76 NTRK1 (0.48) NTRK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16794866 0.76 NOD2 (0.40) NTRK1MEN1KMT2AL3MBTL1ALOX5
SCHEMBL16794922 0.73 MMP2 (0.36) NTRK1ALDH1A1MEN1KMT2AHPGD
SCHEMBL14397205 0.70 ALDH1A1 (0.42) NTRK1ALDH1A1HPGDGAAKDM4E

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