SCHEMBL9989490

SCHEMBL9989490

COc1ccc(-n2nc(CCC(=O)NCc3ccncc3)cc2-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
LMNA P02545 2/20 0.47
MALT1 Q9UDY8 1/20 0.47
DHODH Q02127 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SLC16A3 O15427 2/20 0.44
SLC16A1 P53985 2/20 0.44
EPHX2 P34913 1/20 0.43
F2 P00734 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL9990181 0.95 MALT1 (0.53) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990308 0.90 RXRA (0.47) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9993178 0.89 RXRA (0.47) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989653 0.89 RXRA (0.53) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989355 0.86 MALT1 (0.62) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988456 0.84 SLC16A3 (0.53) RXRARXRBRXRGALOX5PTGS2
Hydrochloric Acid SCHEMBL9466114 0.83 RXRA (0.68) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989050 0.83 CCKAR (0.58) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988359 0.82 MALT1 (0.67) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988534 0.82 MALT1 (0.55) 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