SCHEMBL5032722

SCHEMBL5032722

CC(C)NS(=O)(=O)c1cccc(NC(=O)Oc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
EPHX2 P34913 1/20 0.39
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5035072 0.93 KDM4E (0.54) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5035008 0.91 KDM4E (0.51) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5035276 0.91 KDM4E (0.43) KDM4EKMT2AHTTMAPK1POLB
SCHEMBL5039150 0.91 KDM4E (0.54) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5035000 0.91 KDM4E (0.49) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5035052 0.91 KDM4E (0.51) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5035307 0.90 KDM4E (0.50) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5034992 0.89 MAPK1 (0.52) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5035253 0.89 MAPK1 (0.52) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5041326 0.89 MAPK1 (0.49) KDM4EKMT2AHTTMAPK1TP53

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
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed