SCHEMBL28608282

SCHEMBL28608282

COc1ccc2nc(CCOC=O)cc(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
KDM4E B2RXH2 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ACACA Q13085 2/20 0.47
PLA2G2A P14555 2/20 0.47
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
MAPT P10636 4/20 0.42
NQO2 P16083 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
TACR3 P29371 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL28563728 0.88 AURKA (0.47) AURKAAURKBKDM4EMEN1KMT2A
SCHEMBL28913232 0.86 ALDH1A1 (0.51) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL28912506 0.80 KDM4E (0.53) AURKAAURKBKDM4EMEN1KMT2A
SCHEMBL28350370 0.77 KDM4E (0.75) AURKAAURKBKDM4EMEN1KMT2A
SCHEMBL30064616 0.77 KDM4E (0.75) AURKAAURKBKDM4EMEN1KMT2A
Ethoxycarbonyl Group SCHEMBL28608280 0.74 KDM4E (0.51) AURKAAURKBKDM4EMEN1KMT2A
SCHEMBL28565686 0.73 ALDH1A1 (0.50) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL28494948 0.73 AURKA (0.57) AURKAAURKBKDM4EMEN1KMT2A
SCHEMBL27719836 0.72 KDM4E (0.40) KDM4ESMN1; SMN2PLA2G2AMAPTALDH1A1
SCHEMBL23674306 0.72 AURKA (0.63) AURKAAURKBKDM4EMEN1KMT2A

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-106380446-B Synthesis method of quinoline-2 formate derivative 南阳师范学院 2021-06-18 CN disclosed