SCHEMBL9988404

SCHEMBL9988404

COc1ccc(-n2nc(CCC(=O)NCCCN3CCOCC3)cc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.59
RXFP1 Q9HBX9 3/20 0.57
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL9988702 0.95 PTGS2 (0.58) PTGS2RXFP1KDM5BKDM4ERXRA
SCHEMBL9989269 0.91 PTGS2 (0.54) PTGS2RXFP1KMT2AMEN1KDM4E
SCHEMBL9988387 0.83 DRD4 (0.49) PTGS2KDM5BKDM4ESMN1; SMN2POLB
SCHEMBL9989347 0.82 RXRA (0.49) PTGS2RXRARXRBRXRG
SCHEMBL9988392 0.81 MC4R (0.57) PTGS2KMT2ARXRARXRBRXRG
SCHEMBL9989304 0.80 RXRA (0.52) PTGS2KMT2ARXRARXRBRXRG
SCHEMBL9989355 0.80 MALT1 (0.62) PTGS2KDM4ERXRARXRBRXRG
SCHEMBL9988457 0.80 PTGS2 (0.44) PTGS2KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL9988533 0.78 LMNA (0.49) PTGS2KDM5BKDM4EGAASMN1; SMN2
SCHEMBL3234436 0.77 CNR1 (0.54) PTGS2RXRARXRBRXRG

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