SCHEMBL28458491

SCHEMBL28458491

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
SERPINE1 P05121 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ADORA1 P30542 1/20 0.43
NPSR1 Q6W5P4 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
P2RX3 P56373 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL28464635 0.88 L3MBTL1 (0.49) L3MBTL1MAPK1SERPINE1CNR1CNR2
SCHEMBL28463974 0.87 LMNA (0.54) L3MBTL1MAPK1SMN1; SMN2CNR1CNR2
SCHEMBL28462858 0.87 L3MBTL1 (0.55) L3MBTL1MAPK1SMN1; SMN2CNR1CNR2
SCHEMBL28462461 0.83 L3MBTL1 (0.50) L3MBTL1MAPK1SERPINE1CNR1CNR2
SCHEMBL28466891 0.82 POLB (0.51) L3MBTL1MAPK1SERPINE1SMN1; SMN2RXFP1
SCHEMBL28466895 0.80 L3MBTL1 (0.55) L3MBTL1MAPK1SMN1; SMN2RXFP1CNR1
SCHEMBL3105145 0.80 SERPINE1 (0.59) L3MBTL1MAPK1SERPINE1SMN1; SMN2RXFP1
SCHEMBL28899426 0.79 HDAC1 (0.54) L3MBTL1MAPK1SMN1; SMN2CNR1CNR2
SCHEMBL28458204 0.79 L3MBTL1 (0.55) L3MBTL1MAPK1SMN1; SMN2CNR2NPSR1
SCHEMBL28455161 0.79 L3MBTL1 (0.46) L3MBTL1MAPK1SERPINE1SMN1; SMN2CNR1

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