SCHEMBL9989263

SCHEMBL9989263

Cc1ccc(-n2nc(CCC(=O)NCc3ccccc3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.55
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
TP53 P04637 3/20 0.46
ALOX5 P09917 2/20 0.46
PTGS1 P23219 2/20 0.46
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 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
SCHEMBL9988509 0.94 MALT1 (0.50) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988512 0.93 MALT1 (0.57) MALT1RXRARXRBRXRGCACNA1G
SCHEMBL9988840 0.92 MALT1 (0.52) MALT1RXRARXRBRXRGCACNA1G
SCHEMBL9988938 0.91 MALT1 (0.54) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9989721 0.91 MALT1 (0.56) MALT1RXRARXRBRXRGCACNA1G
SCHEMBL9988490 0.90 LMNA (0.49) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9989656 0.90 MALT1 (0.53) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988373 0.89 MALT1 (0.54) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988310 0.89 CACNA1G (0.50) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988866 0.89 MALT1 (0.49) MALT1RXRARXRBRXRGALDH1A1

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 claimed