SCHEMBL8286502

SCHEMBL8286502

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(C(O)c3cccs3)ncc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 3/20 0.33
CYP1A2 P05177 3/20 0.33
CASP1 P29466 3/20 0.33
MEN1 O00255 2/20 0.33
CASP7 P55210 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
LMNA P02545 2/20 0.33
HBB P68871 1/20 0.33
BRCA1 P38398 1/20 0.33
GSK3B P49841 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
PDE11A Q9HCR9 1/20 0.31

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
SCHEMBL8286154 0.80 GSK3B (0.42) USP2CYP1A2CASP1MEN1CASP7
SCHEMBL8286151 0.80 GSK3B (0.36) MAPTHSD17B10LMNAGSK3BALDH1A1
SCHEMBL8286516 0.80 LMNA (0.39) MAPTHSD17B10CYP1A2MEN1KMT2A
SCHEMBL8286508 0.79 LOXL3 (0.42) HSD17B10USP2CYP1A2CASP1MEN1
SCHEMBL8286489 0.78 ALDH1A1 (0.36) MAPTHSD17B10USP2MEN1KMT2A
SCHEMBL8287593 0.77 GSK3B (0.37) MAPTMEN1KMT2AGSK3BALDH1A1
SCHEMBL8362929 0.76 PIK3CA (0.44) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL8285183 0.76 PDE11A (0.41) MAPTHSD17B10USP2CYP1A2CASP1
SCHEMBL5872050 0.74 GAA (0.44) MAPTUSP2CYP1A2CASP1MEN1
SCHEMBL8287197 0.74 EGFR (0.43) MAPTMEN1KMT2ALMNAGSK3B

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