SCHEMBL22820004

SCHEMBL22820004

Cc1cc(-c2cc(F)ccc2C)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.50
PTGS2 P35354 3/20 0.47
PTGS1 P23219 1/20 0.46
DAPK3 O43293 1/20 0.41
NTRK1 P04629 1/20 0.41
PIM1 P11309 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
NISCH Q9Y2I1 1/20 0.41

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
SCHEMBL12365163 0.88 ABL1 (0.50) ABL1PTGS2NISCH
SCHEMBL10304724 0.84 PTGS2 (0.47) ABL1PTGS2PTGS1NISCH
SCHEMBL12365159 0.83 ABL1 (0.49) ABL1PTGS2PTGS1NISCH
SCHEMBL12365161 0.83 ABL1 (0.49) ABL1PTGS2PTGS1
SCHEMBL3750244 0.83 ABL1 (0.51) ABL1PTGS2NISCH
SCHEMBL16574098 0.82 MAP4K4 (0.48) ABL1PTGS2PTGS1DAPK3NTRK1
SCHEMBL8054650 0.80 ABL1 (0.49) ABL1PTGS2NISCH
SCHEMBL27909896 0.79 ABL1 (0.47) ABL1
SCHEMBL10094630 0.79 ACHE (0.50) ABL1PTGS2PTGS1NISCH
SCHEMBL25866316 0.79 PTGS2 (0.50) ABL1PTGS2PTGS1DAPK3NTRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed