SCHEMBL13823819

SCHEMBL13823819

CCOCc1c[nH]c(SCc2csc(NC(=O)Nc3ccc(C)cc3C(=O)C3CCCC3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
NTRK1 P04629 2/20 0.34
NTRK2 Q16620 2/20 0.34
MAPT P10636 5/20 0.34
GAA P10253 1/20 0.34
PKM P14618 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
SCHEMBL1341059 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1LMNANPC1
SCHEMBL1341012 0.87 RAB9A (0.35) SMN1; SMN2ALDH1A1TDP1LMNANPC1
SCHEMBL1340014 0.84 GCK (0.38) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL1339265 0.81 MAPK13 (0.37) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1338734 0.79 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1LMNANPC1
SCHEMBL1339120 0.79 RAB9A (0.45) SMN1; SMN2ALDH1A1TDP1LMNANPC1
SCHEMBL1340206 0.79 RAB9A (0.41) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL1340036 0.79 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1LMNANPC1
SCHEMBL1343689 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TDP1LMNANPC1
SCHEMBL1341181 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1LMNANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed