SCHEMBL9988474

SCHEMBL9988474

COc1ccc(-n2nc(CCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
RPA1 P27694 4/20 0.47
MALT1 Q9UDY8 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
P2RX7 Q99572 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
MCTS1 Q9ULC4 1/20 0.42
RCE1 Q9Y256 1/20 0.42
CSNK1E P49674 1/20 0.42
CCKAR P32238 3/20 0.41
APEX1 P27695 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
SCHEMBL9989121 0.94 RXRA (0.52) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990141 0.92 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988463 0.91 RXRA (0.54) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989639 0.91 ALOX5 (0.55) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988908 0.91 MALT1 (0.46) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988490 0.89 LMNA (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989656 0.89 MALT1 (0.53) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990088 0.89 RXRA (0.45) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988891 0.89 RXRA (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988536 0.89 RXRA (0.48) RXRARXRBRXRGALOX5PTGS2

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