SCHEMBL28010730

SCHEMBL28010730

O=C1Nc2ccccc2C1Cc1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
MAPT P10636 6/20 0.58
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 5/20 0.52
POLB P06746 1/20 0.52
IDO1 P14902 4/20 0.50
LMNA P02545 3/20 0.48
TDO2 P48775 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7825637 0.83 GSK3B (0.77) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28010769 0.83 GSK3B (0.59) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL2672578 0.80 HSD17B10 (0.45) GSK3BMAPTTP53POLBIDO1
SCHEMBL4999162 0.77 MAPT (0.49) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL18025747 0.75 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28649392 0.75 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL7372759 0.75 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL8806656 0.75 GSK3B (0.72) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL27915346 0.73 TAAR1 (0.43) IDO1
SCHEMBL6744208 0.73 GSK3B (0.58) GSK3BMAPTKDM4EGAAL3MBTL1

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-104529894-B Quinolinone derivative and preparation method thereof 成都丽凯手性技术有限公司 2017-02-22 CN disclosed
CN-104529830-A Novel urea type compound preparation method CHENGDU LIKAI CHIRAL TECHNOLOGY CO LTD 2015-04-22 CN disclosed
CN-104529894-A Quinolinone derivative and preparation method thereof CHENGDU LIKAI CHIRAL TECHNOLOGY CO LTD 2015-04-22 CN disclosed