SCHEMBL2913200

SCHEMBL2913200

COc1c(C(=O)Nc2ccccc2S(C)(=O)=O)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
CFTR P13569 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL2908364 0.92 CA2 (0.41) KDM4EMEN1KMT2AHTTRXFP1
SCHEMBL2910291 0.89 CNR2 (0.38) KDM4EMEN1KMT2AHTTCNR2
SCHEMBL2915398 0.87 MEN1 (0.41) KDM4EMEN1KMT2AHTTRXFP1
SCHEMBL2907824 0.85 MAPT (0.39) KDM4EHTTRXFP1TSHRALDH1A1
SCHEMBL2915057 0.83 CRBN (0.39) KDM4EMEN1KMT2AHTTTSHR
SCHEMBL2907766 0.83 KMT2A (0.41) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL2907218 0.82 NR1H4 (0.38) KDM4EMEN1KMT2ACFTRTSHR
SCHEMBL2910755 0.82 MAPT (0.38) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2913384 0.81 NR1H4 (0.40) KDM4EMEN1KMT2ACFTRTSHR
SCHEMBL2915054 0.81 NR1H4 (0.40) KDM4EMEN1KMT2ACFTRTSHR

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