SCHEMBL2907962

SCHEMBL2907962

COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)c([N+](=O)[O-])c2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MAPT P10636 6/20 0.38
MEN1 O00255 5/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
CRBN Q96SW2 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2915057 0.85 CRBN (0.39) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL2907766 0.85 KMT2A (0.41) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL1530810 0.84 AURKB (0.39) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL2907824 0.84 MAPT (0.39) MAPTALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL2913875 0.83 F10 (0.37) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL2910755 0.81 MAPT (0.38) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL2915689 0.81 F10 (0.39) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL2915054 0.81 NR1H4 (0.40) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL2913600 0.81 NR1H4 (0.40) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL2913384 0.81 NR1H4 (0.40) KMT2AMAPTMEN1POLBL3MBTL1

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