SCHEMBL9989681

SCHEMBL9989681

N#Cc1ccc(-n2nc(CCC(=O)NCc3cccs3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
MALT1 Q9UDY8 3/20 0.45
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.38
SCN9A Q15858 1/20 0.38
ILK Q13418 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL9988500 0.93 RXRA (0.47) RXRARXRBRXRGMALT1MAPK1
SCHEMBL9990096 0.88 LMNA (0.47) RXRARXRBRXRGMALT1KDM4E
SCHEMBL9990151 0.87 RXRA (0.52) RXRARXRBRXRGMALT1CA1
SCHEMBL9988498 0.86 RXRA (0.51) RXRARXRBRXRGMALT1CA1
SCHEMBL9988373 0.86 MALT1 (0.54) RXRARXRBRXRGMALT1KDM4E
SCHEMBL9989059 0.84 MALT1 (0.56) RXRARXRBRXRGMALT1
SCHEMBL9988903 0.83 RXRA (0.48) RXRARXRBRXRGMALT1KDM4E
SCHEMBL9989579 0.83 RXRA (0.52) RXRARXRBRXRGMALT1CA1
SCHEMBL9988678 0.83 RXRA (0.54) RXRARXRBRXRGMALT1
SCHEMBL9989045 0.82 RXRA (0.47) RXRARXRBRXRGMALT1CA1

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 claimed