SCHEMBL9988533

SCHEMBL9988533

COc1ccc(-n2nc(CCC(=O)NCCN3CCN(C)CC3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
PTGS2 P35354 2/20 0.45
ALOX5 P09917 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
DRD4 P21917 2/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
ILK Q13418 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
SCHEMBL9989408 0.92 DRD4 (0.51) RXRARXRBRXRGALOX5SMN1; SMN2
SCHEMBL9988671 0.91 ALOX5 (0.48) LMNARXRARXRBRXRGALOX5
SCHEMBL9988576 0.87 LMNA (0.47) LMNATP53RXRARXRBRXRG
SCHEMBL9988823 0.85 RXRA (0.43) LMNATP53RXRARXRBRXRG
SCHEMBL9988515 0.84 MC4R (0.53) LMNATP53RXRARXRBRXRG
SCHEMBL9988387 0.84 DRD4 (0.49) PTGS2SMN1; SMN2POLBKDM4EKDM5B
SCHEMBL9990141 0.83 RXRA (0.51) LMNATP53RXRARXRBRXRG
SCHEMBL9989583 0.83 CCKAR (0.42) LMNATP53RXRARXRBRXRG
SCHEMBL9988521 0.83 TP53 (0.42) LMNATP53RXRARXRBRXRG
SCHEMBL9990088 0.83 RXRA (0.45) LMNATP53RXRARXRBRXRG

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