SCHEMBL2039680

SCHEMBL2039680

CCn1c(C(NC(=O)O)C(C)(C)C)nc2ccc(-c3ccc(OC)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
PPARG P37231 1/20 0.44
S1PR1 P21453 1/20 0.43
ACSS2 Q9NR19 4/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC8 Q9BY41 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALK Q9UM73 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2037490 0.93 TDP1 (0.45) AAK1PPARGS1PR1ALDH1A1KDM4E
SCHEMBL2042553 0.92 ACSS2 (0.51) S1PR1ACSS2
SCHEMBL2041827 0.89 AAK1 (0.47) AAK1S1PR1ACSS2GAASMN1; SMN2
SCHEMBL2043795 0.82 ACSS2 (0.49) S1PR1ACSS2KDM4EGAANPSR1
SCHEMBL2041269 0.82 GAA (0.44) AAK1S1PR1ACSS2GAANPSR1
SCHEMBL2038872 0.81 GAA (0.41) AAK1PPARGS1PR1ACSS2GAA
SCHEMBL2039832 0.81 ACSS2 (0.49) S1PR1ACSS2ALDH1A1GAA
SCHEMBL2042201 0.79 NPSR1 (0.55) ALDH1A1KDM4ELMNAGAANPSR1
SCHEMBL2043182 0.75 HDAC1 (0.42) PPARGS1PR1KDM4EGAANPSR1
SCHEMBL12635707 0.75 PPARG (0.45) PPARGACSS2KDM4EHSD17B10MAPT

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed