SCHEMBL9988359

SCHEMBL9988359

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.67
ALOX5 P09917 1/20 0.64
PTGS2 P35354 1/20 0.64
RXRA P19793 2/20 0.61
RXRB P28702 2/20 0.61
RXRG P48443 2/20 0.61
CCKAR P32238 9/20 0.58
ABCB1 P08183 1/20 0.53
SLC16A3 O15427 1/20 0.52
SLC16A1 P53985 1/20 0.52
RPA1 P27694 1/20 0.51

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) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9989050 0.92 CCKAR (0.58) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9988460 0.91 MALT1 (0.62) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9988534 0.91 MALT1 (0.55) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9989603 0.88 MALT1 (0.60) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9988340 0.87 RXRA (0.59) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9989546 0.87 MALT1 (0.55) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9519737 0.87 ALOX5 (0.71) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9988493 0.86 MALT1 (0.56) MALT1ALOX5PTGS2RXRARXRB
SCHEMBL9988492 0.86 MALT1 (0.55) MALT1ALOX5PTGS2RXRARXRB

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