SCHEMBL9990205

SCHEMBL9990205

COc1ccc(-n2nc(CCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2-c2cccc(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
RPA1 P27694 3/20 0.43
MALT1 Q9UDY8 1/20 0.43
APEX1 P27695 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
P2RX7 Q99572 2/20 0.41
RCE1 Q9Y256 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CNR1 P21554 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9988937 0.94 RXRA (0.47) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989048 0.91 RXRA (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990226 0.90 RXRA (0.44) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988729 0.89 MALT1 (0.48) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988942 0.89 TP53 (0.44) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988654 0.89 RXRA (0.44) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988474 0.86 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989687 0.85 MALT1 (0.50) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989639 0.85 ALOX5 (0.55) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989284 0.83 TP53 (0.51) 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