SCHEMBL9989269

SCHEMBL9989269

COc1ccc(-n2nc(CCC(=O)NCCCN3CCOCC3)cc2-c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.54
RXFP1 Q9HBX9 3/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL9988404 0.91 PTGS2 (0.59) PTGS2RXFP1KMT2AMEN1GAA
SCHEMBL9988702 0.86 PTGS2 (0.58) PTGS2RXFP1POLBKDM4E
SCHEMBL9988526 0.84 RXRA (0.45) PTGS2KDM4E
SCHEMBL9988387 0.80 DRD4 (0.49) PTGS2SMN1; SMN2POLBKDM4E
SCHEMBL9990181 0.80 MALT1 (0.53) PTGS2GAA
SCHEMBL9989490 0.80 RXRA (0.50) PTGS2KMT2AMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL9466114 0.77 RXRA (0.68) PTGS2
SCHEMBL9990308 0.77 RXRA (0.47) PTGS2KMT2AGAATDP1
SCHEMBL9993178 0.77 RXRA (0.47) PTGS2RXFP1KMT2AMEN1GAA
SCHEMBL9989653 0.77 RXRA (0.53) PTGS2KMT2A

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