SCHEMBL2913600

SCHEMBL2913600

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ITGA4 P13612 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
DHODH Q02127 1/20 0.36
MAPK1 P28482 1/20 0.36
F10 P00742 1/20 0.36
MAPT P10636 4/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL2917122 0.93 MAPT (0.42) NR1H4ALDH1A1ITGA4L3MBTL1KMT2A
SCHEMBL2915054 0.93 NR1H4 (0.40) NR1H4ALDH1A1ITGA4L3MBTL1KMT2A
SCHEMBL2913384 0.93 NR1H4 (0.40) NR1H4ITGA4L3MBTL1KMT2AMEN1
SCHEMBL2909795 0.92 NR1H4 (0.39) NR1H4ITGA4L3MBTL1KMT2AMEN1
SCHEMBL2907136 0.90 NR1H4 (0.38) NR1H4ITGA4L3MBTL1KMT2AMEN1
SCHEMBL2907824 0.89 MAPT (0.39) NR1H4ALDH1A1ITGA4L3MBTL1MAPT
SCHEMBL2913332 0.89 SMN1; SMN2 (0.41) NR1H4ALDH1A1ITGA4L3MBTL1KMT2A
SCHEMBL2910598 0.88 NR1H4 (0.56) NR1H4MAPTSMN1; SMN2TP53KDM4E
SCHEMBL2910755 0.88 MAPT (0.38) NR1H4ALDH1A1ITGA4L3MBTL1KMT2A
SCHEMBL2916146 0.86 ALDH1A1 (0.38) NR1H4ALDH1A1ITGA4L3MBTL1KMT2A

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