SCHEMBL10069597

SCHEMBL10069597

CC(C)c1c(-c2ccc3ccccc3c2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.36
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
ALOX5AP P20292 3/20 0.33
GRM2 Q14416 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
ESR1 P03372 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
CA12 O43570 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL10069591 0.92 ESR1 (0.35) LMNAPDE10AESR1KDM5B
SCHEMBL10069619 0.90 KDM5B (0.34) MAPTKDM5BL3MBTL1
SCHEMBL10069601 0.89 ALDH1A1 (0.36) GRM5L3MBTL1
SCHEMBL10069611 0.89 L3MBTL1 (0.36) SMN1; SMN2GRM5L3MBTL1
SCHEMBL10069629 0.86 RGS4 (0.35) MAPTLMNASMN1; SMN2POLBGRM5
SCHEMBL10069631 0.86 RGS4 (0.34) ANO1SMN1; SMN2KDM5BGRM5
SCHEMBL10069598 0.85 TP53 (0.33) MAPTGRM5
SCHEMBL10069596 0.85 MAPT (0.36) MAPTLMNASMN1; SMN2POLBHTT
SCHEMBL10069599 0.84 PTGS2 (0.34) MAPTLMNASMN1; SMN2POLBSTAT3
SCHEMBL10069624 0.83 GHSR (0.33)

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-2012047993-A2 N-HYDROXYPYRIMIDINE-2,4-DIONES AS INHIBITORS OF HIV AND HCV REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-04-12 WO disclosed