SCHEMBL29206051

SCHEMBL29206051

CC(=O)Oc1cc(=O)n(C)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
KDM4E B2RXH2 2/20 0.54
NQO2 P16083 1/20 0.54
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 2/20 0.51
BRD4 O60885 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL13609766 0.87 KCNA3 (0.52) KCNA3KDM4ENQO2ALDH1A1SMN1; SMN2
SCHEMBL11540274 0.81 NPSR1 (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30783436 0.80 KCNA3 (0.61) KCNA3KDM4ENQO2ALDH1A1SMN1; SMN2
SCHEMBL11379787 0.80 KCNA3 (0.61) KCNA3KDM4ENQO2ALDH1A1SMN1; SMN2
SCHEMBL24522892 0.78 KCNA3 (0.70) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11541711 0.77 MAPT (0.47) ALDH1A1BRD4HSD17B10TSHR
SCHEMBL22530365 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDBRD4TSHR
SCHEMBL11541055 0.76 NPSR1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL11540070 0.76 NPSR1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11540561 0.76 TSHR (0.45) ALDH1A1SMN1; SMN2HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946000-A Synthesis method of 1-methyl-2-oxo-1, 2-dihydro-4-quinolinecarboxylic acid methyl ester 南通大学 2024-04-30 CN claimed
CN-117946000-A Synthesis method of 1-methyl-2-oxo-1, 2-dihydro-4-quinolinecarboxylic acid methyl ester 南通大学 2024-04-30 CN disclosed
CN-117946000-A Synthesis method of 1-methyl-2-oxo-1, 2-dihydro-4-quinolinecarboxylic acid methyl ester 南通大学 2024-04-30 CN disclosed