SCHEMBL9988565

SCHEMBL9988565

[O]c1ccc(-n2nc(CCC(=O)NCc3ccccc3Cl)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.51
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 4/20 0.46
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
MCTS1 Q9ULC4 1/20 0.45
TP53 P04637 3/20 0.44
P2RX7 Q99572 5/20 0.43
MAPT P10636 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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 0.94 MALT1 (0.53) MALT1RXRARXRBRXRGSLC16A3
SCHEMBL9988569 0.93 MALT1 (0.51) MALT1RXRARXRBRXRGSLC16A3
SCHEMBL9989579 0.91 RXRA (0.52) MALT1RXRARXRBRXRGSLC16A3
SCHEMBL9990250 0.90 RXRA (0.51) MALT1RXRARXRBRXRGSLC16A3
SCHEMBL9988395 0.86 MALT1 (0.55) MALT1RXRARXRBRXRGTP53
SCHEMBL9988933 0.84 CACNA1G (0.58) MALT1RXRARXRBRXRGP2RX7
SCHEMBL9989595 0.84 RXRA (0.51) MALT1RXRARXRBRXRGSLC16A3
SCHEMBL9990146 0.83 RXRA (0.50) MALT1RXRARXRBRXRGSLC16A3
SCHEMBL9988310 0.83 CACNA1G (0.50) MALT1RXRARXRBRXRGTP53
SCHEMBL9989306 0.82 RXRA (0.52) MALT1RXRARXRBRXRGSLC16A3

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