SCHEMBL9988308

SCHEMBL9988308

COc1ccc(-n2nc(CCC(=O)NCc3ccccn3)cc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
PTGS2 P35354 2/20 0.52
ALOX5 P09917 1/20 0.52
RPA1 P27694 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CCKAR P32238 4/20 0.49
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47

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
SCHEMBL9989046 0.91 TP53 (0.50) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9989355 0.89 MALT1 (0.62) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9989126 0.85 RXRA (0.55) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9989050 0.85 CCKAR (0.58) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988492 0.85 MALT1 (0.55) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988340 0.84 RXRA (0.59) MALT1RXRARXRBRXRGTP53
SCHEMBL9988534 0.84 MALT1 (0.55) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988359 0.84 MALT1 (0.67) MALT1RXRARXRBRXRGPTGS2
SCHEMBL9988397 0.84 CACNA1G (0.56) MALT1RXRARXRBRXRGPTGS2
SCHEMBL9989546 0.84 MALT1 (0.55) MALT1RXRARXRBRXRGPTGS2

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