SCHEMBL16794850

SCHEMBL16794850

CCOC(=O)n1c(=O)c(C)c(-c2cccc(SC(=O)c3ccccc3)c2)c2c1c1ccccc1n2C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ELANE P08246 3/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL16794840 0.82 NTRK1 (0.43) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL16814655 0.68 ALDH1A1 (0.44) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL16794891 0.66 NTRK1 (0.41) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL25327891 0.64 HPGD (0.55) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL16794889 0.64 NTRK1 (0.40) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL1002968 0.64 NTRK1 (0.58) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL29469528 0.64 NTRK1 (0.58) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL16794875 0.62 NTRK1 (0.37) NTRK1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL8786604 0.60 KDM4E (0.70) MEN1ALDH1A1KMT2AALOX15RECQL
SCHEMBL20696083 0.60 MEN1 (0.54) NTRK1L3MBTL1MEN1ALDH1A1KMT2A

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