SCHEMBL9988937

SCHEMBL9988937

COc1ccc(-n2nc(CCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2-c2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
TP53 P04637 2/20 0.47
MALT1 Q9UDY8 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
RPA1 P27694 3/20 0.44
P2RX7 Q99572 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
RCE1 Q9Y256 1/20 0.42
KDM4E B2RXH2 2/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL9990205 0.94 RXRA (0.46) RXRARXRBRXRGTP53MALT1
SCHEMBL9989687 0.90 MALT1 (0.50) RXRARXRBRXRGTP53MALT1
SCHEMBL9989284 0.90 TP53 (0.51) RXRARXRBRXRGTP53MALT1
SCHEMBL9988550 0.88 TP53 (0.47) RXRARXRBRXRGTP53MALT1
SCHEMBL9989283 0.88 TP53 (0.45) RXRARXRBRXRGTP53MALT1
SCHEMBL9989639 0.87 ALOX5 (0.55) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988542 0.86 ALDH1A1 (0.49) RXRARXRBRXRGTP53MALT1
SCHEMBL9988474 0.86 RXRA (0.51) RXRARXRBRXRGTP53MALT1
SCHEMBL9990241 0.85 TP53 (0.45) RXRARXRBRXRGTP53MALT1
SCHEMBL9989048 0.85 RXRA (0.49) RXRARXRBRXRGTP53MALT1

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