SCHEMBL2913875

SCHEMBL2913875

COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)nc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CRBN Q96SW2 1/20 0.35
KIF18A Q8NI77 1/20 0.35
MAPT P10636 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
LYN P07948 1/20 0.33
MAPK9 P45984 1/20 0.33
TYK2 P29597 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 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
SCHEMBL2915689 0.94 F10 (0.39) F10MEN1KMT2AALDH1A1MAPK1
SCHEMBL2915255 0.87 BRAF (0.37) F10ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2910755 0.85 MAPT (0.38) F10MEN1KMT2AALDH1A1MAPK1
SCHEMBL2907824 0.85 MAPT (0.39) ALDH1A1KIF18AMAPTHSD17B10TSHR
SCHEMBL2915057 0.85 CRBN (0.39) F10MEN1KMT2AALDH1A1MAPK1
SCHEMBL2907766 0.84 KMT2A (0.41) F10MEN1KMT2AALDH1A1MAPK1
SCHEMBL1530807 0.83 AURKB (0.45) F10MEN1KMT2AALDH1A1MAPK1
SCHEMBL2907962 0.83 KMT2A (0.38) MEN1KMT2AALDH1A1MAPK1CRBN
SCHEMBL2913384 0.83 NR1H4 (0.40) F10MEN1KMT2AMAPTHSD17B10
SCHEMBL2915054 0.83 NR1H4 (0.40) F10MEN1KMT2AALDH1A1MAPT

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