SCHEMBL9993178

SCHEMBL9993178

COc1ccc(-n2nc(CCC(=O)NCc3cccc(F)c3)cc2-c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
LMNA P02545 2/20 0.46
MALT1 Q9UDY8 1/20 0.45
TP53 P04637 3/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
DHODH Q02127 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PANK1 Q8TE04 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
SCHEMBL9990141 0.92 RXRA (0.51) RXRARXRBRXRGLMNAMALT1
SCHEMBL9990308 0.91 RXRA (0.47) RXRARXRBRXRGLMNAMALT1
SCHEMBL9988567 0.91 MALT1 (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL9990181 0.91 MALT1 (0.53) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL9989653 0.90 RXRA (0.53) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL9989490 0.89 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL9988527 0.89 RXRA (0.48) RXRARXRBRXRGLMNAMALT1
SCHEMBL9988505 0.88 RXRA (0.47) RXRARXRBRXRGLMNAMALT1
SCHEMBL9989656 0.88 MALT1 (0.53) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL9988536 0.87 RXRA (0.48) RXRARXRBRXRGLMNAMALT1

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