SCHEMBL28560877

SCHEMBL28560877

O=COCc1cc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 7/20 0.44
LTB4R Q15722 5/20 0.43
EGFR P00533 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CTNNB1 P35222 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28559495 0.87 LTB4R (0.46) ACACALTB4REGFRMEN1MAPK1
SCHEMBL28554782 0.87 GRM2 (0.39) ACACALTB4RALDH1A1MEN1MAPT
SCHEMBL28550497 0.87 GRM2 (0.42) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL28550126 0.85 MAPK1 (0.50) ACACALTB4RALDH1A1MEN1MAPT
SCHEMBL28550499 0.85 PRNP (0.41) ALDH1A1MAPTRXFP1TDP1
SCHEMBL28565686 0.85 ALDH1A1 (0.50) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL28566549 0.85 PRNP (0.41) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL28912506 0.85 KDM4E (0.53) ACACAALDH1A1MEN1MAPTKMT2A
SCHEMBL28563728 0.83 AURKA (0.47) ACACAALDH1A1MEN1MAPTKMT2A
SCHEMBL28559916 0.81 TNKS (0.41) ACACAALDH1A1MEN1MAPTKMT2A

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-106366035-B Synthesis method of quinoline derivative 南阳师范学院 2021-05-07 CN disclosed