SCHEMBL13680827

SCHEMBL13680827

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
MEN1 O00255 8/20 0.50
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 4/20 0.50
RXFP1 Q9HBX9 2/20 0.50
POLB P06746 2/20 0.50
PRNP P04156 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL13680844 0.89 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL13680841 0.88 TSHR (0.40) KMT2AMEN1KDM4EGAAPOLB
SCHEMBL13680825 0.82 MAPT (0.41) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL13680843 0.81 HPGD (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL13680828 0.81 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL13680836 0.81 NPC1 (0.44) MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13680834 0.80 PDE10A (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL13680830 0.80 RARA (0.44) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL13680840 0.79 RAB9A (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL13680835 0.78 MAP4K4 (0.42) RAB9ANPC1MAPK1

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