SCHEMBL28878993

SCHEMBL28878993

O=C(c1ccccc1)c1cc(-c2ccccc2)c2cc(F)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.56
ALDH1A1 P00352 2/20 0.55
DHODH Q02127 8/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PRNP P04156 2/20 0.46
CNR2 P34972 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DHFR P00374 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL28879046 0.83 ALDH1A1 (0.71) GRM2ALDH1A1MAPTCNR2
SCHEMBL28958166 0.83 ALDH1A1 (0.62) GRM2ALDH1A1DHODHMAPTCNR2
SCHEMBL28554215 0.82 DHODH (0.57) GRM2ALDH1A1DHODHPRNPTDP1
SCHEMBL28879012 0.80 ALDH1A1 (0.55) GRM2ALDH1A1MAPTCNR2
SCHEMBL28349800 0.77 DHODH (0.61) ALDH1A1DHODHPOLBMAPT
SCHEMBL11827110 0.74 MAPK1 (0.47) GRM2ALDH1A1DHODHPOLBMAPT
SCHEMBL28048067 0.74 DHODH (0.48) ALDH1A1DHODHPOLBMAPTDHFR
SCHEMBL28057819 0.74 GRM2 (0.79) GRM2
SCHEMBL164886 0.71 ALDH1A1 (0.55) GRM2ALDH1A1MAPTCNR2
SCHEMBL14932997 0.71 GRM2 (1.00) GRM2

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
CN-114249689-A Synthetic method of benzoyl quinoline compound 温州大学 2022-03-29 CN disclosed