SCHEMBL2907670

SCHEMBL2907670

COc1c(C(=O)Nc2ccc3c(c2)CS(=O)(=O)C3)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.36
NR1H4 Q96RI1 1/20 0.35
FLT3 P36888 2/20 0.34
MELK Q14680 2/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
MYLK Q15746 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GSK3A P49840 1/20 0.33
KMT2A Q03164 3/20 0.33
ITGA4 P13612 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 4/20 0.32

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
SCHEMBL2909795 0.87 NR1H4 (0.39) NR1H4KDM4EDHODHGAAKMT2A
SCHEMBL2915054 0.86 NR1H4 (0.40) NR1H4KDM4EDHODHALDH1A1KMT2A
SCHEMBL2913600 0.86 NR1H4 (0.40) NR1H4KDM4EDHODHALDH1A1KMT2A
SCHEMBL2913384 0.86 NR1H4 (0.40) ACHENR1H4KDM4EDHODHGAA
SCHEMBL2917122 0.84 MAPT (0.42) NR1H4DHODHALDH1A1KMT2AITGA4
SCHEMBL2907801 0.84 TLK2 (0.42) ACHENR1H4
SCHEMBL2907136 0.83 NR1H4 (0.38) ACHENR1H4KDM4EDHODHKMT2A
SCHEMBL2907824 0.83 MAPT (0.39) NR1H4KDM4EALDH1A1GAAITGA4
SCHEMBL1530474 0.82 AURKB (0.42) ACHENR1H4FLT3MELKCAMK2G
SCHEMBL2910598 0.82 NR1H4 (0.56) NR1H4KDM4EMAPTPOLBTP53

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