SCHEMBL2915054

SCHEMBL2915054

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.40
MAPT P10636 7/20 0.39
POLB P06746 4/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
F10 P00742 4/20 0.38
KMT2A Q03164 3/20 0.38
GFER P55789 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ITGA4 P13612 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHODH Q02127 1/20 0.36
TSHR P16473 1/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 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
SCHEMBL2913600 0.93 NR1H4 (0.40) NR1H4MAPTPOLBF10KMT2A
SCHEMBL2913384 0.93 NR1H4 (0.40) NR1H4MAPTPOLBLMNAF10
SCHEMBL2909795 0.92 NR1H4 (0.39) NR1H4MAPTPOLBLMNAF10
SCHEMBL2917122 0.91 MAPT (0.42) NR1H4MAPTF10KMT2AHSD17B10
SCHEMBL2907136 0.90 NR1H4 (0.38) NR1H4MAPTPOLBF10KMT2A
SCHEMBL2907824 0.89 MAPT (0.39) NR1H4MAPTLMNAHPGDHSD17B10
SCHEMBL2910598 0.88 NR1H4 (0.56) NR1H4MAPTPOLBSMN1; SMN2TP53
SCHEMBL2910755 0.88 MAPT (0.38) NR1H4MAPTLMNAHPGDF10
SCHEMBL2913332 0.87 SMN1; SMN2 (0.41) NR1H4MAPTPOLBLMNAHPGD
SCHEMBL2916146 0.86 ALDH1A1 (0.38) NR1H4MAPTLMNAHPGDF10

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