SCHEMBL28626875

SCHEMBL28626875

CCOC(=O)C1C=Nc2ccccc2C1=C=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 3/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FGB P02675 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
SCHEMBL4768344 0.82 KDM4E (0.42) ALDH1A1MAPTLMNASMN1; SMN2HIF1A
SCHEMBL28628608 0.79 LMNA (0.30) LMNASMN1; SMN2HIF1A
SCHEMBL9385400 0.69 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL25430666 0.69 MAPT (0.46) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL29440753 0.68 TDP2 (0.38) ALDH1A1MAPTLMNAKDM4ECYP1A2
SCHEMBL9615419 0.67 NPSR1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL28023074 0.66 MAPT (0.33) ALDH1A1MAPTLMNATSHRKDM4E
SCHEMBL28560072 0.66 KDM4E (0.40) ALDH1A1MAPTSMN1; SMN2KDM4ECYP2C19
SCHEMBL29440764 0.66 KDM4E (0.40) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL2649630 0.65 TDP1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2HSP90AA1

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-113402459-A Method and device for synthesizing 4-hydroxyquinoline-3-formic acid 贵州中医药大学 2021-09-17 CN disclosed