SCHEMBL2915057

SCHEMBL2915057

COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2C)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.39
MAPT P10636 4/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
F10 P00742 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
MAPK14 Q16539 1/20 0.34
CYP3A4 P08684 3/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TNIK Q9UKE5 2/20 0.33
ITGA4 P13612 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
SCHEMBL2907766 0.93 KMT2A (0.41) CRBNMAPTALDH1A1MEN1KMT2A
SCHEMBL2916517 0.86 MEN1 (0.41) CRBNMAPTHSD17B10TSHRALDH1A1
SCHEMBL2912681 0.86 CRBN (0.38) CRBNMAPTALDH1A1MEN1KMT2A
SCHEMBL2915689 0.86 F10 (0.39) CRBNMAPTHSD17B10TSHRALDH1A1
SCHEMBL2907962 0.85 KMT2A (0.38) CRBNMAPTHSD17B10TSHRALDH1A1
SCHEMBL2913875 0.85 F10 (0.37) CRBNMAPTHSD17B10TSHRALDH1A1
SCHEMBL2914837 0.85 KMT2A (0.41) CRBNMAPTALDH1A1MEN1KMT2A
SCHEMBL2910562 0.84 HPGD (0.41) CRBNMAPTALDH1A1MEN1KMT2A
SCHEMBL2907824 0.84 MAPT (0.39) MAPTHSD17B10TSHRALDH1A1RAB9A
SCHEMBL2913200 0.83 KDM4E (0.40) MAPTHSD17B10TSHRALDH1A1MEN1

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