SCHEMBL28569622

SCHEMBL28569622

CCOC(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.65
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
MMP1 P03956 1/20 0.47
MMP13 P45452 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
SCN9A Q15858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL28588114 0.91 SMN1; SMN2 (0.55) GRM2GABRA2GABRB2SMN1; SMN2MEN1
SCHEMBL28567634 0.88 GABRA2 (0.55) GRM2GABRA2GABRB2SMN1; SMN2MEN1
SCHEMBL28057819 0.82 GRM2 (0.79) GRM2MEN1KMT2A
SCHEMBL6889759 0.82 ALDH1A1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL22292210 0.80 KDM4E (0.62) GABRA2GABRB2SMN1; SMN2MEN1KMT2A
SCHEMBL14932997 0.79 GRM2 (1.00) GRM2
SCHEMBL28883896 0.79 KDM4E (0.54) GRM2GABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL28958692 0.78 ALDH1A1 (0.70) GRM2GABRA2GABRB2SMN1; SMN2MEN1
SCHEMBL10955791 0.78 KDM4E (0.67) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL30002312 0.78 SMN1; SMN2 (0.54) GABRA2GABRB2SMN1; SMN2MEN1KMT2A

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-106336378-B Preparation method of quinoline-2-formic ether series 江西师范大学 2021-06-11 CN disclosed