SCHEMBL8286368

SCHEMBL8286368

CCCSc1cc(C)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 3/20 0.44
APLNR P35414 3/20 0.42
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.37
HTT P42858 3/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.37
ABCB1 P08183 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
GSK3B P49841 2/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 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
SCHEMBL8361765 0.87 GAA (0.45) PDE11AALDH1A1GAAMAPK1HPGD
SCHEMBL8286357 0.85 ALDH1A1 (0.43) PDE11AALDH1A1HTTHPGDKDM4E
SCHEMBL8286356 0.85 CYP3A4 (0.41) PDE11AALDH1A1GAAHTTKDM4E
SCHEMBL8287463 0.84 SMN1; SMN2 (0.48) ALDH1A1GAAHTTMAPK1KDM4E
SCHEMBL8286365 0.84 PDE11A (0.46) PDE11AALDH1A1GAAHTTMAPK1
SCHEMBL8286362 0.83 PDE7A (0.43) PDE11AALDH1A1GAAHTTMAPK1
SCHEMBL8287221 0.82 APLNR (0.42) PDE11AAPLNRALDH1A1GAAHTT
SCHEMBL8285163 0.81 POLB (0.50) PDE11AALDH1A1GAAHTTMAPK1
SCHEMBL8286358 0.81 USP2 (0.46) PDE11AALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL8285238 0.80 PDE11A (0.49) PDE11AALDH1A1GAAHTTMAPK1

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed