SCHEMBL8908137

SCHEMBL8908137

Cn1c(=O)c2c(Cl)cc(Cl)cc2n(CC(=O)O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.45
APEX1 P27695 1/20 0.44
AKR1B1 P15121 4/20 0.42
AKR1A1 P14550 2/20 0.42
AKR1B10 O60218 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ADORA2B P29275 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL4223838 0.81 HPGD (0.52) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL13178918 0.75 LMNA (0.55) APEX1AKR1B1AKR1A1PTGDR2HTT
SCHEMBL8893031 0.73 GRIN2D (0.48) GPR17APEX1AKR1B1AKR1A1AKR1B10
SCHEMBL4227686 0.72 MAPK8 (0.49) ADORA2BMEN1KMT2AHTT
SCHEMBL10487870 0.71 AKR1B1 (0.73) AKR1B1AKR1A1AKR1B10MEN1KMT2A
SCHEMBL3581111 0.69 APEX1 (0.76) APEX1MEN1KMT2AHTTLMNA
SCHEMBL29451600 0.68 ADORA2B (0.43) APEX1AKR1B1GRIN2DGRIN3BGRIA1
SCHEMBL18180179 0.68 APEX1 (0.62) APEX1AKR1B1AKR1A1PTGDR2LMNA
SCHEMBL4227625 0.67 MAPT (0.57) HDAC1HDAC8HDAC6KMT2AHTT
SCHEMBL4216608 0.67 HDAC6 (0.47) ADORA2BHDAC6KMT2AHTTLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997002254-A1 QUINAZOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-23 WO disclosed