SCHEMBL9989017

SCHEMBL9989017

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.53
POLB P06746 1/20 0.46
SRC P12931 3/20 0.46
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 3/20 0.46
MMP13 P45452 2/20 0.43
PTGER4 P35408 2/20 0.43
ENPP2 Q13822 1/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
TP53 P04637 1/20 0.41
FOLH1 Q04609 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL9988866 0.94 MALT1 (0.49) MALT1POLBSRCRXRARXRB
SCHEMBL9988478 0.94 MALT1 (0.56) MALT1RXRARXRBRXRGMMP13
SCHEMBL9989721 0.92 MALT1 (0.56) MALT1POLBSRCRXRARXRB
SCHEMBL9988495 0.92 MALT1 (0.49) MALT1RXRARXRBRXRGMMP13
SCHEMBL9988511 0.91 MALT1 (0.52) MALT1POLBSRCRXRARXRB
SCHEMBL9988512 0.89 MALT1 (0.57) MALT1POLBSRCRXRARXRB
SCHEMBL9990171 0.89 MALT1 (0.50) MALT1SRCRXRARXRBRXRG
SCHEMBL9990151 0.88 RXRA (0.52) MALT1POLBSRCRXRARXRB
SCHEMBL9988522 0.88 MALT1 (0.50) MALT1POLBRXRARXRBRXRG
SCHEMBL9990141 0.87 RXRA (0.51) 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