SCHEMBL9989048

SCHEMBL9989048

COc1ccc(-n2nc(CCC(=O)NCc3cccc(Cl)c3)cc2-c2cccc(F)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
MALT1 Q9UDY8 2/20 0.47
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.45
KMT2A Q03164 2/20 0.44
CCKAR P32238 2/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 2/20 0.42
APEX1 P27695 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
SCHEMBL9989687 0.94 MALT1 (0.50) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9990226 0.92 RXRA (0.44) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988729 0.92 MALT1 (0.48) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9990205 0.91 RXRA (0.46) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988942 0.91 TP53 (0.44) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988654 0.89 RXRA (0.44) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988463 0.86 RXRA (0.54) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988460 0.86 MALT1 (0.62) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989284 0.86 TP53 (0.51) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989283 0.85 TP53 (0.45) RXRARXRBRXRGMALT1ALOX5

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