SCHEMBL2913384

SCHEMBL2913384

COC(=O)Nc1ccc(NC(=O)c2cc(N3C(=O)CCNC3=O)cc(C(C)(C)C)c2OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.40
CFTR P13569 1/20 0.39
ITGA4 P13612 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHODH Q02127 2/20 0.36
F10 P00742 1/20 0.36
MAPT P10636 5/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2907136 0.94 NR1H4 (0.38) NR1H4CFTRITGA4L3MBTL1DHODH
SCHEMBL2915054 0.93 NR1H4 (0.40) NR1H4CFTRITGA4L3MBTL1DHODH
SCHEMBL2913600 0.93 NR1H4 (0.40) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2909795 0.92 NR1H4 (0.39) NR1H4CFTRITGA4L3MBTL1DHODH
SCHEMBL2917122 0.91 MAPT (0.42) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2907824 0.89 MAPT (0.39) NR1H4ITGA4L3MBTL1MAPTTSHR
SCHEMBL2910598 0.88 NR1H4 (0.56) NR1H4MAPTSMN1; SMN2TP53KDM4E
SCHEMBL2910755 0.88 MAPT (0.38) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2913332 0.87 SMN1; SMN2 (0.41) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2916146 0.86 ALDH1A1 (0.38) NR1H4ITGA4L3MBTL1DHODHF10

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