SCHEMBL28442805

SCHEMBL28442805

CCc1nc2cc(C)c(Cl)cc2c(CCCC(=O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DPP4 P27487 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28450315 0.96 DPP4 (0.35) SLC22A12GAAMEN1KMT2ADPP4
SCHEMBL28453316 0.94 SLC22A12 (0.38) SLC22A12GAAMEN1KMT2APTGDR2
SCHEMBL28448820 0.85 GAA (0.35) GAAMEN1KMT2ADPP4KDM4E
SCHEMBL28442795 0.82 DPP4 (0.35) GAAMEN1KMT2ADPP4KDM4E
SCHEMBL28448832 0.80 GAA (0.34) GAAMEN1KMT2APTGDR2KDM4E
SCHEMBL28451078 0.80 GAA (0.34) SLC22A12GAAMEN1KMT2APTGDR2
SCHEMBL28447347 0.79 GAA (0.36) GAAMEN1KMT2AKDM4ERXFP1
SCHEMBL28897440 0.77 ALDH1A1 (0.33) GAAMEN1KMT2APTGDR2KDM4E
SCHEMBL28444756 0.74 MAPT (0.34) GAAMEN1KMT2AKDM4EL3MBTL1
SCHEMBL28444818 0.74 MEN1 (0.33) GAAMEN1KMT2AKDM4EL3MBTL1

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
CN-108689928-B Quinoline derivative and preparation method and application thereof 山东省联合农药工业有限公司 2020-05-26 CN claimed
CN-108689928-B Quinoline derivative and preparation method and application thereof 山东省联合农药工业有限公司 2020-05-26 CN disclosed