SCHEMBL2908230

SCHEMBL2908230

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(NS(=O)(=O)CCN3CCOCC3)cc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MITF O75030 2/20 0.36
POLB P06746 2/20 0.36
G6PD P11413 2/20 0.36
MC4R P32245 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
OPRK1 P41145 1/20 0.36
CCR6 P51684 1/20 0.36
MAPK1 P28482 1/20 0.35
TRPV4 Q9HBA0 3/20 0.35
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2915249 0.91 ITGA4 (0.39) ITGA4L3MBTL1MAPTMEN1KMT2A
SCHEMBL2915315 0.86 KIF18A (0.35) ITGA4L3MBTL1POLB
SCHEMBL1530680 0.84 ALDH1A1 (0.38) ITGA4L3MBTL1MAPTMEN1KMT2A
SCHEMBL2913154 0.84 BCL2L1 (0.35) ITGA4L3MBTL1ALDH1A1POLBCA1
SCHEMBL2907832 0.84 BCL2L1 (0.34) ITGA4L3MBTL1POLB
SCHEMBL2913166 0.83 XDH (0.38) ITGA4L3MBTL1MEN1KMT2ALMNA
SCHEMBL2910190 0.80 GPR27 (0.42) MEN1KMT2A
SCHEMBL2913374 0.80 BCL2L1 (0.36) ITGA4L3MBTL1ALDH1A1TRPV4CA1
SCHEMBL2912963 0.79 ALDH1A1 (0.42) ITGA4L3MBTL1MEN1KMT2ALMNA
SCHEMBL2910683 0.78 ALDH1A1 (0.36) ITGA4L3MBTL1MAPTLMNAALDH1A1

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