SCHEMBL2907801

SCHEMBL2907801

COc1c(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 1/20 0.42
TYK2 P29597 1/20 0.40
PDE7A Q13946 1/20 0.39
LRRK2 Q5S007 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ACHE P22303 1/20 0.35
DNM1L O00429 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
DDR1 Q08345 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL2913384 0.85 NR1H4 (0.40) ACHENR1H4
SCHEMBL2913600 0.85 NR1H4 (0.40) NR1H4
SCHEMBL2915054 0.85 NR1H4 (0.40) NR1H4
SCHEMBL2909795 0.84 NR1H4 (0.39) NR1H4
SCHEMBL1530645 0.84 TLK2 (0.43) TLK2TYK2PDE7ALRRK2SMYD3
SCHEMBL2907670 0.84 ACHE (0.36) ACHENR1H4
SCHEMBL2917122 0.84 MAPT (0.42) NR1H4
SCHEMBL2907136 0.83 NR1H4 (0.38) ACHENR1H4
SCHEMBL2907824 0.82 MAPT (0.39) NR1H4
SCHEMBL2910598 0.81 NR1H4 (0.56) NR1H4

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