SCHEMBL13680844

SCHEMBL13680844

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MCL1 Q07820 1/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 6/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 5/20 0.39
PRNP P04156 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMO Q99835 1/20 0.38

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 0.89 KMT2A (0.50) SMN1; SMN2HPGDMAPTKMT2AKDM4E
SCHEMBL13680841 0.84 TSHR (0.40) KMT2AKDM4EMEN1PRNPPOLB
SCHEMBL13680828 0.82 ALDH1A1 (0.42) SMN1; SMN2HPGDMAPTKMT2AKDM4E
SCHEMBL13680839 0.80 ALDH1A1 (0.45) SMN1; SMN2HPGDMAPTKMT2AKDM4E
SCHEMBL13680815 0.79 PDE10A (0.46) SMN1; SMN2HPGDMAPTKMT2AKDM4E
SCHEMBL13680825 0.79 MAPT (0.41) SMN1; SMN2HPGDMAPTKMT2APOLB
SCHEMBL13680840 0.79 RAB9A (0.41) SMN1; SMN2HPGDMAPTKMT2AMEN1
SCHEMBL13680843 0.78 HPGD (0.45) SMN1; SMN2HPGDMAPTKMT2AKDM4E
SCHEMBL13680836 0.78 NPC1 (0.44) SMN1; SMN2NQO2MAPTNPC1RAB9A
SCHEMBL13680834 0.77 PDE10A (0.39) SMN1; SMN2HPGDMAPTKMT2AKDM4E

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