SCHEMBL2915689

SCHEMBL2915689

COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cn2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
CRBN Q96SW2 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.34
KIF18A Q8NI77 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
LYN P07948 1/20 0.33
MAPK9 P45984 1/20 0.33
CDK9 P50750 1/20 0.33
CYP3A4 P08684 3/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2913875 0.94 F10 (0.37) F10CRBNMEN1KMT2ARAB9A
SCHEMBL2915057 0.86 CRBN (0.39) F10CRBNMEN1KMT2ARAB9A
SCHEMBL2907766 0.85 KMT2A (0.41) F10CRBNMEN1KMT2ARAB9A
SCHEMBL1530859 0.83 AURKB (0.43) F10CRBNMEN1KMT2ARAB9A
SCHEMBL2910755 0.83 MAPT (0.38) F10CRBNMEN1KMT2ARAB9A
SCHEMBL2915255 0.83 BRAF (0.37) F10RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2907824 0.83 MAPT (0.39) RAB9AKIF18AALDH1A1RXFP1NPC1
SCHEMBL2907962 0.81 KMT2A (0.38) CRBNMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2913384 0.81 NR1H4 (0.40) F10MEN1KMT2ARAB9ANPC1
SCHEMBL2913600 0.81 NR1H4 (0.40) F10MEN1KMT2AALDH1A1TP53

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