SCHEMBL9988869

SCHEMBL9988869

CCN1CCCC1CNC(=O)CCc1cc(-c2cccc(OC)c2)n(-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MALT1 Q9UDY8 1/20 0.48
DRD2 P14416 5/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SLC16A3 O15427 3/20 0.42
SLC16A1 P53985 3/20 0.42
MCTS1 Q9ULC4 2/20 0.42
FAAH O00519 1/20 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
SCHEMBL9990189 0.86 MALT1 (0.49) KDM4EHSD17B10MALT1DRD2KMT2A
SCHEMBL9989408 0.79 DRD4 (0.51) KDM4EALDH1A1DRD2KMT2ACA1
SCHEMBL9989142 0.79 CA1 (0.48) MALT1CA1CA2CA9SLC16A3
SCHEMBL9988617 0.78 MALT1 (0.43) MALT1FAAH
SCHEMBL9988456 0.78 SLC16A3 (0.53) MALT1CA1CA2CA9SLC16A3
SCHEMBL9988387 0.78 DRD4 (0.49) KDM4EHSD17B10CA1CA2CA9
SCHEMBL9988915 0.77 CA1 (0.47) KDM4EALDH1A1MALT1CA1CA2
SCHEMBL9990127 0.77 CA1 (0.44) CA1CA2CA9SLC16A3SLC16A1
SCHEMBL9989252 0.77 NPC1 (0.53) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL9989540 0.77 MALT1 (0.52) MALT1CA1CA2CA9SLC16A3

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed