SCHEMBL5549530

SCHEMBL5549530

CCCCc1cc(NC(=O)Nc2ccc3c(c2)OCO3)n(-c2cccc(CCCl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 3/20 0.50
MAPK14 Q16539 2/20 0.44
NPC1 O15118 9/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GSK3B P49841 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
SAE1 Q9UBE0 1/20 0.41

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
SCHEMBL2082943 0.85 MAPK14 (0.62) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL2082310 0.77 MAPK14 (0.61) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL2083662 0.77 MAPK14 (0.72) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL4302686 0.76 MAPK14 (0.59) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL2083034 0.75 MAPK14 (0.60) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL4299075 0.75 MAPK14 (0.72) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL14190095 0.74 MAPK14 (0.57) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL2081660 0.74 MAPK14 (0.62) RAB9AMAPK14
SCHEMBL2082979 0.74 MAPK14 (0.72) RAB9AKMT2AMEN1MAPTMAPK14
SCHEMBL4055651 0.73 KCNJ6 (0.56) KMT2AMEN1MAPK14KCNJ6KCNJ5

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
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed