SCHEMBL1573763

SCHEMBL1573763

Cc1cc(OC(=O)N2CCC(C(=O)OCc3ccccc3)CC2)nc2[nH]nc(OC(=O)N3CCC(C)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
USP30 Q70CQ3 1/20 0.37
GRIN2B Q13224 2/20 0.37
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPC3 Q13507 2/20 0.37
TRPC7 Q9HCX4 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1573883 0.86 GAA (0.41) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1573885 0.79 GAA (0.36) SMN1; SMN2NPC1RAB9ACYP2C19GAA
SCHEMBL1573937 0.79 LIPE (0.38) GAA
SCHEMBL1573836 0.79 GAA (0.36) SMN1; SMN2RAB9ACYP2C19HTTGAA
SCHEMBL1573808 0.79 GAA (0.47) HTTGAAMAPTALDH1A1TDP1
SCHEMBL1573815 0.77 GAA (0.43) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1573859 0.76 GAA (0.41) SMN1; SMN2RAB9ACYP2C19HTTGAA
SCHEMBL1574115 0.76 GAA (0.41) SMN1; SMN2RAB9ACYP2C19HTTGAA
SCHEMBL1573851 0.75 SPR (0.37)
SCHEMBL1573819 0.75 GAA (0.40) SMN1; SMN2NPC1RAB9AGAAALDH1A1

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
EP-1713779-B1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-04-13 EP disclosed