SCHEMBL13680622

SCHEMBL13680622

Cc1csc(-c2ccc3oc(=O)[nH]c3c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.56
PDE3A Q14432 3/20 0.56
NOS1 P29475 5/20 0.51
NOS2 P35228 4/20 0.51
NOS3 P29474 3/20 0.51
PPM1D O15297 1/20 0.50
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45
DUSP3 P51452 1/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 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
SCHEMBL11256932 0.79 PDE3B (0.63) PDE3BPDE3ANOS1NOS2NOS3
SCHEMBL13680625 0.79 CDC25A (0.56) PDE3BPDE3ACDC25ACDC25BCDC25C
SCHEMBL6197904 0.78 PPM1D (0.55) PDE3BPDE3APPM1DCDC25ACDC25B
SCHEMBL13680991 0.77 PDE3B (0.48) PDE3BPDE3ANOS1NOS2NOS3
SCHEMBL11258651 0.76 PDE3B (0.68) PDE3BPDE3ANOS1NOS2NOS3
SCHEMBL13680565 0.74 PDE3B (0.54) PDE3BPDE3ANOS1NOS2NOS3
SCHEMBL13680627 0.72 CA12 (0.51) PDE3BPDE3ACDC25ACDC25BCDC25C
SCHEMBL11260674 0.72 PDE3B (1.00) PDE3BPDE3ANOS1NOS2NOS3
SCHEMBL13680624 0.71 NPC1 (0.51) GLAKDM4ENPC1ALDH1A1MAPT
SCHEMBL13680626 0.70 QPCT (0.57) KDM4ENPC1ALDH1A1HPGDRAB9A

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