SCHEMBL10069609

SCHEMBL10069609

CC(C)c1c(-c2cccs2)n(COCc2ccc(Cl)cc2F)c(=O)n(O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HPD P32754 3/20 0.33
MAPK14 Q16539 1/20 0.32
GRM4 Q14833 1/20 0.31
THRB P10828 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
GNRHR P30968 1/20 0.30
MAPK1 P28482 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30

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) MEN1KMT2AHPDMAPK14
SCHEMBL10069608 0.83 HPD (0.32) HPDMAPK14
SCHEMBL10069628 0.82 ALDH1A1 (0.35) LMNAMEN1KMT2AALDH1A1TDP1
SCHEMBL10069607 0.82 ADORA2A (0.35) LMNAPOLBALDH1A1HPDMAPK14
SCHEMBL10069626 0.82 HPD (0.34) POLBALDH1A1HPDMAPK14MAPK1
SCHEMBL10069624 0.82 GHSR (0.33) TDP1HPDMAPK14GRM4
SCHEMBL10069618 0.81 PTGER1 (0.35) MEN1KMT2AHPDMAPK14MAPK1
SCHEMBL10069604 0.81 ERCC5 (0.38) LMNAPOLBALDH1A1TDP1KDM5B
SCHEMBL10069605 0.73 CNR1 (0.34) GNRHR
SCHEMBL10069596 0.71 MAPT (0.36) LMNAPOLBMEN1KMT2AALDH1A1

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