SCHEMBL1455667

SCHEMBL1455667

CC(NC1CCC2(CC1)OCCO2)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
EPHX1 P07099 2/20 0.38
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.36
NPY1R P25929 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL384908 1.00 L3MBTL1 (0.61) L3MBTL1GAASMN1; SMN2ALDH1A1TSHR
SCHEMBL27818229 0.80 GAA (0.85) L3MBTL1GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL664938 0.80 GAA (0.85) L3MBTL1GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL23606754 0.79 SMN1; SMN2 (0.46) L3MBTL1GAASMN1; SMN2ALDH1A1TSHR
SCHEMBL13823415 0.79 L3MBTL1 (0.43) L3MBTL1GAASMN1; SMN2ALDH1A1TSHR
SCHEMBL14224158 0.79 L3MBTL1 (0.43) L3MBTL1GAASMN1; SMN2ALDH1A1TSHR
SCHEMBL24335434 0.78 GAA (0.55) L3MBTL1GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL24335302 0.78 GAA (0.55) L3MBTL1GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3668041 0.77 GAA (1.00) L3MBTL1GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4826390 0.76 SMN1; SMN2 (0.41) L3MBTL1GAASMN1; SMN2ALDH1A1TSHR

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-2289893-B1 Haloaryl substituted aminopurines for use in treatment SIGNAL PHARM LLC (US) 2014-06-25 EP disclosed
EP-2289893-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2011-03-02 EP disclosed