SCHEMBL2915115

SCHEMBL2915115

COc1c(C(=O)Nc2ccc(NS(=O)(=O)CC(C)C)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
MAPT P10636 7/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
DHODH Q02127 2/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
ITGA4 P13612 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRBN Q96SW2 1/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 2/20 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
SCHEMBL2913182 0.91 NR1H4 (0.36) BCL2NR1H4MAPTHSD17B10TSHR
SCHEMBL2909532 0.90 NR1H4 (0.39) BCL2NR1H4MAPTHSD17B10TSHR
SCHEMBL2913787 0.90 KIF18A (0.39) BCL2NR1H4MAPTHSD17B10TSHR
SCHEMBL2913154 0.90 BCL2L1 (0.35) BCL2NR1H4KDM4ERAB9AITGA4
SCHEMBL2915751 0.86 NR1H4 (0.34) BCL2NR1H4MAPTHSD17B10TSHR
SCHEMBL2907824 0.85 MAPT (0.39) BCL2NR1H4MAPTHSD17B10TSHR
SCHEMBL2915481 0.85 NR1H4 (0.41) BCL2NR1H4MAPTHSD17B10TSHR
SCHEMBL2913600 0.85 NR1H4 (0.40) NR1H4MAPTHSD17B10TSHRDHODH
SCHEMBL2915054 0.85 NR1H4 (0.40) NR1H4MAPTHSD17B10TSHRDHODH
SCHEMBL2913384 0.85 NR1H4 (0.40) NR1H4MAPTHSD17B10TSHRDHODH

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