SCHEMBL13680995

SCHEMBL13680995

O=CCCc1csc(-c2ccc3[nH]c(=O)[nH]c3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
CDC25C P30307 1/20 0.48
DUSP3 P51452 1/20 0.48
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
GRIA1 P42261 3/20 0.37
CACNG8 Q8WXS5 3/20 0.37
ENPP2 Q13822 1/20 0.37
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
DYRK1A Q13627 4/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL13681003 0.83 HRH3 (0.39) ENPP2LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL13680991 0.81 PDE3B (0.48) CDC25ACDC25BCDC25CDUSP3PDE3B
SCHEMBL13680986 0.80 GUSB (0.45) ENPP2MAPT
SCHEMBL13680997 0.80 RAB9A (0.41) ENPP2LMNASMN1; SMN2KDM4ERXFP1
SCHEMBL13680981 0.79 GSK3B (0.46) DYRK1A
SCHEMBL13680996 0.78 QPCT (0.44)
SCHEMBL13681000 0.76 CRBN (0.40) PDE3BPDE3ALMNASMN1; SMN2L3MBTL1
SCHEMBL13680625 0.76 CDC25A (0.56) CDC25ACDC25BCDC25CDUSP3PDE3B
SCHEMBL13681061 0.75 LMNA (0.38) ENPP2LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL13681013 0.75 PRF1 (0.43) LMNASMN1; SMN2L3MBTL1RXFP1ALDH1A1

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