SCHEMBL13680843

SCHEMBL13680843

CS(=O)(=O)Nc1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SREBF1 P36956 1/20 0.42
SREBF2 Q12772 1/20 0.42
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
KIF11 P52732 1/20 0.40
SCN9A Q15858 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39

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
SCHEMBL13680827 0.81 KMT2A (0.50) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL13680834 0.79 PDE10A (0.39) HPGDALDH1A1KDM4EMAPTKMT2A
SCHEMBL13680844 0.78 SMN1; SMN2 (0.43) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL3854280 0.77 MEN1 (0.50) ALDH1A1KMT2AMEN1KCNH2
SCHEMBL13680841 0.77 TSHR (0.40) KDM4EKMT2AMEN1POLB
SCHEMBL13680948 0.76 SREBF1 (0.51) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL13680831 0.76 PDE10A (0.37) MAPTSMN1; SMN2
SCHEMBL13680825 0.76 MAPT (0.41) HPGDALDH1A1LMNAMAPTKMT2A
SCHEMBL13680815 0.76 PDE10A (0.46) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL12270002 0.75 HPGD (0.57) HPGDALDH1A1KDM4ELMNAHSP90AA1

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