SCHEMBL10069607

SCHEMBL10069607

CC(C)c1c(-c2ccco2)n(COCc2ccc(Cl)cc2F)c(=O)n(O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
KDM5A P29375 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAPK14 Q16539 1/20 0.32
ADORA3 P0DMS8 3/20 0.31
HPD P32754 3/20 0.31
POLB P06746 3/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 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
SCHEMBL10069593 0.83 MEN1 (0.35) ADORA2AMAPK14HPD
SCHEMBL10069608 0.83 HPD (0.32) MAPK14HPD
SCHEMBL10069609 0.82 LMNA (0.34) LMNATHRBKDM5BMAPK14HPD
SCHEMBL10069626 0.82 HPD (0.34) MAPK14HPDPOLBALDH1A1
SCHEMBL10069624 0.82 GHSR (0.33) MAPK14HPD
SCHEMBL10069618 0.81 PTGER1 (0.35) MAPK14HPD
SCHEMBL10069616 0.81 ALDH1A1 (0.36) ADORA2ALMNATHRBKDM5APOLB
SCHEMBL10069596 0.71 MAPT (0.36) LMNATHRBMAPK14POLBMAPT
SCHEMBL10069594 0.70 MAPT (0.38) LMNAMAPTALDH1A1
SCHEMBL10069619 0.67 KDM5B (0.34) ADORA2AKDM5BADORA3MAPT

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