SCHEMBL28464635

SCHEMBL28464635

CC(=O)N(C(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc12)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
SERPINE1 P05121 3/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ADORA1 P30542 1/20 0.42
IDO1 P14902 1/20 0.41
HDAC2 Q92769 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL28458491 0.88 L3MBTL1 (0.50) L3MBTL1MAPK1SERPINE1HDAC1HDAC6
SCHEMBL28899426 0.87 HDAC1 (0.54) L3MBTL1MAPK1HDAC1HDAC6CNR1
SCHEMBL28462461 0.82 L3MBTL1 (0.50) L3MBTL1MAPK1SERPINE1CNR1CNR2
SCHEMBL28466891 0.81 POLB (0.51) L3MBTL1MAPK1SERPINE1IDO1NPSR1
SCHEMBL28463974 0.80 LMNA (0.54) L3MBTL1MAPK1HDAC1HDAC6CNR1
SCHEMBL28466895 0.79 L3MBTL1 (0.55) L3MBTL1MAPK1HDAC1HDAC6CNR1
SCHEMBL28462858 0.79 L3MBTL1 (0.55) L3MBTL1MAPK1HDAC1HDAC6CNR1
SCHEMBL28458204 0.78 L3MBTL1 (0.55) L3MBTL1MAPK1HDAC1HDAC6CNR2
SCHEMBL28455161 0.78 L3MBTL1 (0.46) L3MBTL1MAPK1SERPINE1CNR1CNR2
SCHEMBL28462854 0.78 LTB4R (0.52) L3MBTL1MAPK1SERPINE1CNR1CNR2

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-109665985-B Polysubstituted indole compound and application thereof 中国科学院广州生物医药与健康研究院 2020-09-29 CN disclosed