SCHEMBL9988534

SCHEMBL9988534

COc1ccc(-n2nc(CCC(=O)NCc3ccc(F)cc3)cc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.55
RCE1 Q9Y256 1/20 0.54
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
ALOX5 P09917 2/20 0.52
PTGS2 P35354 2/20 0.52
RPA1 P27694 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CCKAR P32238 4/20 0.48
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9989355 0.93 MALT1 (0.62) MALT1RXRARXRBRXRGALOX5
SCHEMBL9989546 0.93 MALT1 (0.55) MALT1RCE1RXRARXRBRXRG
SCHEMBL9989050 0.92 CCKAR (0.58) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988567 0.91 MALT1 (0.55) MALT1RXRARXRBRXRGALOX5
SCHEMBL9989656 0.91 MALT1 (0.53) MALT1RCE1RXRARXRBRXRG
SCHEMBL9988359 0.91 MALT1 (0.67) MALT1RXRARXRBRXRGALOX5
SCHEMBL9989053 0.90 ALOX5 (0.55) MALT1RCE1RXRARXRBRXRG
SCHEMBL9988785 0.90 MALT1 (0.51) MALT1RCE1RXRARXRBRXRG
SCHEMBL9989603 0.88 MALT1 (0.60) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988490 0.88 LMNA (0.49) MALT1RCE1RXRARXRBRXRG

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