SCHEMBL9989537

SCHEMBL9989537

O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccccc2)n1)NCc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.59
RXRA P19793 5/20 0.52
RXRB P28702 5/20 0.52
RXRG P48443 5/20 0.52
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
CNR1 P21554 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
SRC P12931 2/20 0.45
ENPP2 Q13822 1/20 0.44

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
SCHEMBL9989721 0.93 MALT1 (0.56) MALT1RXRARXRBRXRGTP53
SCHEMBL9988478 0.93 MALT1 (0.56) MALT1RXRARXRBRXRGTP53
SCHEMBL9988401 0.93 MALT1 (0.55) MALT1RXRARXRBRXRGTP53
SCHEMBL9988395 0.93 MALT1 (0.55) MALT1RXRARXRBRXRGTP53
SCHEMBL9988512 0.93 MALT1 (0.57) MALT1RXRARXRBRXRGTP53
SCHEMBL9988938 0.92 MALT1 (0.54) MALT1RXRARXRBRXRGTP53
SCHEMBL9988822 0.92 MALT1 (0.54) MALT1RXRARXRBRXRGTP53
SCHEMBL9988678 0.91 RXRA (0.54) MALT1RXRARXRBRXRGTP53
SCHEMBL9988463 0.90 RXRA (0.54) MALT1RXRARXRBRXRGTP53
SCHEMBL9988840 0.89 MALT1 (0.52) MALT1RXRARXRBRXRGTP53

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