SCHEMBL13407482

SCHEMBL13407482

CCCCOc1ccc(C2c3ccccc3C(=O)N2CCc2ccccn2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
TP53 P04637 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SCN9A Q15858 3/20 0.48
ACHE P22303 1/20 0.45
SCN5A Q14524 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
QPCT Q16769 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.41
GAA P10253 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
SCHEMBL3280331 0.88 TP53 (0.53) MAPTTP53L3MBTL1SCN9AACHE
SCHEMBL13407675 0.78 MAPT (0.46) MAPTTP53L3MBTL1SCN9AACHE
SCHEMBL3029407 0.72 MAPT (0.50) MAPTTP53L3MBTL1ALDH1A1KDM4E
SCHEMBL3029406 0.72 MAPT (0.50) MAPTTP53L3MBTL1ALDH1A1KDM4E
SCHEMBL13407483 0.72 MDM2 (0.51) TP53L3MBTL1SCN9AACHESCN5A
SCHEMBL3956190 0.67 SCN9A (0.62) MAPTSCN9ASCN5AKCNQ2KCNA5
SCHEMBL22781472 0.67 GAA (0.55) MAPTTP53L3MBTL1ALDH1A1KDM4E
SCHEMBL13568323 0.66 HSD17B10 (0.55) SCN9ASCN5AALDH1A1KCNQ2KCNA5
SCHEMBL18569320 0.66 GAA (0.56) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL17366160 0.66 ALDH1A1 (0.49) MAPTTP53SCN9ASCN5AALDH1A1

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-7705021-B2 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer FOX CHASE CANCER CENTER (US) 2010-04-27 US disclosed