SCHEMBL8219367

SCHEMBL8219367

COc1ccccc1NC(=O)CCc1c(C)c(C=O)n(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL4407292 0.82 MAPT (0.48) HTTPOLBALDH1A1L3MBTL1KDM4E
SCHEMBL4405756 0.77 MAPT (0.52) POLBALDH1A1KDM4EMAPTHDAC3
SCHEMBL13255541 0.72 SMN1; SMN2 (0.71) HTTNPSR1POLBALDH1A1KDM4E
SCHEMBL5183678 0.70 ALDH1A1 (0.72) HTTNPSR1POLBALDH1A1L3MBTL1
SCHEMBL30738420 0.70 ALDH1A1 (0.72) HTTNPSR1POLBALDH1A1L3MBTL1
SCHEMBL23080145 0.70 ALDH1A1 (0.72) HTTNPSR1POLBALDH1A1L3MBTL1
SCHEMBL4415982 0.70 NPSR1 (0.38) NPSR1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL2007035 0.69 MEN1 (0.76) HTTNPSR1POLBALDH1A1MAPT
SCHEMBL7181212 0.69 ALDH1A1 (0.70) HTTNPSR1POLBALDH1A1L3MBTL1
SCHEMBL7952919 0.69 ALDH1A1 (0.70) HTTNPSR1POLBALDH1A1L3MBTL1

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
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed