SCHEMBL2907825

SCHEMBL2907825

COC(=O)c1cc(N2C(=O)CCNC2=O)cc(C(C)(C)C)c1OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
USP2 O75604 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
PARP1 P09874 1/20 0.31
MGLL Q99685 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2916134 0.90 MEN1 (0.34) MEN1KMT2AL3MBTL1MGLL
SCHEMBL2914123 0.89 MEN1 (0.33) ALDH1A1USP2MEN1KMT2AL3MBTL1
SCHEMBL2912406 0.87 ALDH1A1 (0.35) ALDH1A1USP2MEN1KMT2AKDM4E
SCHEMBL2915054 0.83 NR1H4 (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2913600 0.83 NR1H4 (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2913384 0.83 NR1H4 (0.40) USP2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2909795 0.82 NR1H4 (0.39) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL2917122 0.81 MAPT (0.42) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL2907136 0.81 NR1H4 (0.38) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL2915398 0.80 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD

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 6 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
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
EP-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed