SCHEMBL2915282

SCHEMBL2915282

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
HTT P42858 3/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
WDR5 P61964 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 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
SCHEMBL3107879 0.89 MAPT (0.52) MAPTHTTHPGDMEN1KMT2A
SCHEMBL2916211 0.87 KDM4E (0.36) MAPTHTTMEN1KMT2ANPC1
SCHEMBL2907837 0.87 KDM4E (0.41) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2915428 0.83 RAB9A (0.40) MAPTHPGDMEN1KMT2ANPC1
SCHEMBL1530888 0.80 HTT (0.43) MAPTHTTHPGDMEN1KMT2A
SCHEMBL15652622 0.77 HTT (0.41) MAPTHTTHPGDMEN1KMT2A
SCHEMBL2910630 0.75 MEN1 (0.46) MAPTHTTMEN1KMT2ANPC1
SCHEMBL2910562 0.72 HPGD (0.41) MAPTHTTHPGDMEN1KMT2A
SCHEMBL2908369 0.71 MAPT (0.37) MAPTHTTHPGDMEN1KMT2A
SCHEMBL2912963 0.71 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1

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