SCHEMBL2909795

SCHEMBL2909795

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.39
F10 P00742 4/20 0.37
ITGA4 P13612 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 2/20 0.36
MAPT P10636 4/20 0.35
TSHR P16473 2/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
F12 P00748 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL2913384 0.92 NR1H4 (0.40) NR1H4F10ITGA4L3MBTL1DHODH
SCHEMBL2915054 0.92 NR1H4 (0.40) NR1H4F10ITGA4L3MBTL1DHODH
SCHEMBL2913600 0.92 NR1H4 (0.40) NR1H4F10ITGA4L3MBTL1DHODH
SCHEMBL2917122 0.90 MAPT (0.42) NR1H4F10ITGA4L3MBTL1DHODH
SCHEMBL2907136 0.89 NR1H4 (0.38) NR1H4F10ITGA4L3MBTL1DHODH
SCHEMBL2915255 0.89 BRAF (0.37) NR1H4F10MAPTCFTRSMN1; SMN2
SCHEMBL2907824 0.88 MAPT (0.39) NR1H4ITGA4L3MBTL1MAPTTSHR
SCHEMBL2910598 0.88 NR1H4 (0.56) NR1H4MAPTSMN1; SMN2TP53KDM4E
SCHEMBL2916146 0.87 ALDH1A1 (0.38) NR1H4F10ITGA4L3MBTL1DHODH
SCHEMBL2907670 0.87 ACHE (0.36) NR1H4F10ITGA4L3MBTL1DHODH

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