SCHEMBL9989245

SCHEMBL9989245

COc1ccc(-n2nc(CCC(=O)N3CCOCC3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
FKBP1A P62942 2/20 0.51
PTGS2 P35354 5/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
GAA P10253 1/20 0.48
ALOX5 P09917 5/20 0.48
PTGS1 P23219 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL9988523 0.89 ALOX5 (0.54) FKBP1APTGS2RXRARXRBRXRG
SCHEMBL9999143 0.84 RXRA (0.69) PTGS2RXRARXRBRXRGALOX5
SCHEMBL9988350 0.80 ALOX5 (0.56) PTGS2RXRARXRBRXRGALOX5
SCHEMBL9988389 0.80 ALOX5 (0.56) PTGS2RXRARXRBRXRGALOX5
SCHEMBL9990141 0.78 RXRA (0.51) MAPTPTGS2RXRARXRBRXRG
SCHEMBL9988533 0.77 LMNA (0.49) MAPTPTGS2RXRARXRBRXRG
SCHEMBL9988576 0.77 LMNA (0.47) MAPTPTGS2RXRARXRBRXRG
SCHEMBL9989656 0.77 MALT1 (0.53) MAPTPTGS2RXRARXRBRXRG
SCHEMBL9988966 0.77 MAPT (0.51) MAPTPTGS2RXRARXRBRXRG
SCHEMBL9990096 0.76 LMNA (0.47) PTGS2RXRARXRBRXRGGAA

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