SCHEMBL2915249

SCHEMBL2915249

COc1c(C(=O)Nc2ccc(NS(=O)(=O)CCN3CCOCC3)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SCARB1 Q8WTV0 1/20 0.36
MAPT P10636 6/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HCRTR1 O43613 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GALR3 O60755 1/20 0.36
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2908230 0.91 ITGA4 (0.41) ITGA4L3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL2909532 0.88 NR1H4 (0.39) ITGA4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2913787 0.88 KIF18A (0.39) MAPTTSHRHSD17B10
SCHEMBL1530730 0.85 NPC1 (0.40) L3MBTL1SMN1; SMN2NPC1RAB9ASCARB1
SCHEMBL2913182 0.84 NR1H4 (0.36) ITGA4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2915115 0.84 BCL2 (0.37) ITGA4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2915751 0.84 NR1H4 (0.34) SMN1; SMN2NPC1RAB9ASCARB1MAPT
SCHEMBL2907824 0.81 MAPT (0.39) ITGA4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2915481 0.81 NR1H4 (0.41) ITGA4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2913384 0.80 NR1H4 (0.40) ITGA4L3MBTL1SMN1; SMN2NPC1RAB9A

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