SCHEMBL9988966

SCHEMBL9988966

COc1ccc(-n2nc(CCC(=O)Nc3cccc(C)c3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CCKAR P32238 7/20 0.48
ALOX5 P09917 2/20 0.47
PTGS2 P35354 1/20 0.47
DRD4 P21917 1/20 0.47
MALT1 Q9UDY8 1/20 0.44
PTGS1 P23219 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9989011 0.86 RXRA (0.48) MAPTMEN1KMT2ARXRARXRB
SCHEMBL9988490 0.84 LMNA (0.49) MAPTRXRARXRBRXRGCCKAR
SCHEMBL9999143 0.83 RXRA (0.69) RXRARXRBRXRGCCKARALOX5
SCHEMBL9989267 0.83 CCKAR (0.47) MAPTRXRARXRBRXRGCCKAR
SCHEMBL9990141 0.82 RXRA (0.51) MAPTMEN1KMT2ARXRARXRB
SCHEMBL9998572 0.82 CCKAR (0.51) MAPTHPGDRXRARXRBRXRG
SCHEMBL9989578 0.82 RXRA (0.47) MEN1KMT2ARXRARXRBRXRG
SCHEMBL9989656 0.82 MALT1 (0.53) MAPTRXRARXRBRXRGCCKAR
SCHEMBL9990073 0.81 RXRA (0.48) RXRARXRBRXRGCCKARALOX5
SCHEMBL9989266 0.81 RXRA (0.46) MEN1KMT2ARXRARXRBRXRG

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