SCHEMBL9988511

SCHEMBL9988511

O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(O)cc2)n1)NCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.52
POLB P06746 1/20 0.45
SRC P12931 3/20 0.45
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
MAOB P27338 1/20 0.43
ENPP2 Q13822 1/20 0.42
PANK1 Q8TE04 1/20 0.42
PANK3 Q9H999 1/20 0.42
CNR1 P21554 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
TP53 P04637 1/20 0.41
ILK Q13418 1/20 0.40
FOLH1 Q04609 1/20 0.40
LHCGR P22888 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
SCHEMBL9988401 0.94 MALT1 (0.55) MALT1RXRARXRBRXRGCNR1
SCHEMBL9988479 0.94 MALT1 (0.49) MALT1POLBSRCRXRARXRB
SCHEMBL9989721 0.92 MALT1 (0.56) MALT1POLBSRCRXRARXRB
SCHEMBL9989017 0.91 MALT1 (0.53) MALT1POLBSRCRXRARXRB
SCHEMBL9990151 0.90 RXRA (0.52) MALT1POLBSRCRXRARXRB
SCHEMBL9988512 0.89 MALT1 (0.57) MALT1POLBSRCRXRARXRB
SCHEMBL9990141 0.89 RXRA (0.51) MALT1RXRARXRBRXRGTP53
SCHEMBL9988509 0.88 MALT1 (0.50) MALT1POLBRXRARXRBRXRG
SCHEMBL9989263 0.87 MALT1 (0.55) MALT1POLBRXRARXRBRXRG
SCHEMBL9988395 0.86 MALT1 (0.55) MALT1RXRARXRBRXRGCNR1

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