SCHEMBL13680934

SCHEMBL13680934

COC(=O)Nc1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.51
LMNA P02545 5/20 0.51
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SREBF2 Q12772 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL13680933 0.88 SREBF2 (0.51) TP53LMNARXFP1MAPTPOLB
SCHEMBL13680936 0.86 TP53 (0.46) TP53LMNARXFP1MAPTPOLB
SCHEMBL13680938 0.85 MEN1 (0.49) TP53LMNARXFP1MAPTPOLB
SCHEMBL13680940 0.85 TP53 (0.45) TP53LMNARXFP1MAPTPOLB
SCHEMBL13681034 0.83 MEN1 (0.46) TP53LMNARXFP1MAPTPOLB
SCHEMBL13680958 0.83 RXFP1 (0.57) TP53LMNARXFP1MAPTKDM4E
SCHEMBL13680947 0.83 TP53 (0.46) TP53LMNARXFP1MAPTPOLB
SCHEMBL13681058 0.82 MAPT (0.37) TP53LMNARXFP1MAPTPOLB
SCHEMBL13680939 0.80 MAPT (0.47) TP53LMNARXFP1MAPTPOLB
SCHEMBL13680929 0.80 ALDH1A1 (0.62) TP53LMNAMAPTKDM4EALDH1A1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed