SCHEMBL9989579

SCHEMBL9989579

N#Cc1ccc(-n2nc(CCC(=O)NCc3ccccc3Cl)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.52
RXRB P28702 4/20 0.52
RXRG P48443 4/20 0.52
MALT1 Q9UDY8 2/20 0.49
TP53 P04637 3/20 0.44
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 2/20 0.43
MCTS1 Q9ULC4 2/20 0.43
P2RX7 Q99572 4/20 0.41
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9989849 0.91 MALT1 (0.53) RXRARXRBRXRGMALT1TP53
SCHEMBL9988565 0.91 MALT1 (0.51) RXRARXRBRXRGMALT1TP53
SCHEMBL9988569 0.91 MALT1 (0.51) RXRARXRBRXRGMALT1TP53
SCHEMBL9988373 0.88 MALT1 (0.54) RXRARXRBRXRGMALT1TP53
SCHEMBL9990250 0.88 RXRA (0.51) RXRARXRBRXRGMALT1TP53
SCHEMBL9989059 0.87 MALT1 (0.56) RXRARXRBRXRGMALT1
SCHEMBL9990151 0.87 RXRA (0.52) RXRARXRBRXRGMALT1CACNA1G
SCHEMBL9988678 0.87 RXRA (0.54) RXRARXRBRXRGMALT1TP53
SCHEMBL9988498 0.86 RXRA (0.51) RXRARXRBRXRGMALT1CA1
SCHEMBL9989045 0.85 RXRA (0.47) RXRARXRBRXRGMALT1TP53

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 2 patents. 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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed