SCHEMBL2916211

SCHEMBL2916211

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(NC(=O)c2ccc(N)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HDAC1 Q13547 1/20 0.34
MAPT P10636 5/20 0.34
CYP2C9 P11712 1/20 0.34
LDLR P01130 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
GFER P55789 1/20 0.33
F10 P00742 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2907837 0.90 KDM4E (0.41) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL2915282 0.87 MAPT (0.48) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL2915428 0.86 RAB9A (0.40) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL1530862 0.79 DDB1 (0.46) KDM4EMEN1KMT2AHDAC3HDAC8
SCHEMBL2910630 0.78 MEN1 (0.46) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL2908369 0.76 MAPT (0.37) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL3107879 0.75 MAPT (0.52) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL2913996 0.75 CA1 (0.43) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL2910562 0.75 HPGD (0.41) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL2909795 0.74 NR1H4 (0.39) KDM4EMEN1KMT2APOLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed