SCHEMBL9988903

SCHEMBL9988903

Cc1cccc(CNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccc(C#N)cc3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
MALT1 Q9UDY8 2/20 0.47
PANK1 Q8TE04 1/20 0.41
PANK3 Q9H999 1/20 0.41
TP53 P04637 5/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
AOC3 Q16853 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL9990151 0.94 RXRA (0.52) RXRARXRBRXRGMALT1PANK1
SCHEMBL9988509 0.92 MALT1 (0.50) RXRARXRBRXRGMALT1PANK1
SCHEMBL9988373 0.91 MALT1 (0.54) RXRARXRBRXRGMALT1TP53
SCHEMBL9988479 0.91 MALT1 (0.49) RXRARXRBRXRGMALT1PANK1
SCHEMBL9988840 0.91 MALT1 (0.52) RXRARXRBRXRGMALT1TP53
SCHEMBL9988678 0.90 RXRA (0.54) RXRARXRBRXRGMALT1TP53
SCHEMBL9989423 0.90 MALT1 (0.48) RXRARXRBRXRGMALT1PANK1
SCHEMBL9988498 0.90 RXRA (0.51) RXRARXRBRXRGMALT1PANK1
SCHEMBL9988866 0.89 MALT1 (0.49) RXRARXRBRXRGMALT1PANK1
SCHEMBL9988467 0.89 MALT1 (0.45) RXRARXRBRXRGMALT1PANK1

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