SCHEMBL286155

SCHEMBL286155

Cc1onc(-c2ccc(F)cc2)c1C=Cc1cc(C(=O)OC(C)C(N)=O)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KMT2A Q03164 3/20 0.35
RET P07949 1/20 0.35
PTGS2 P35354 2/20 0.35
GABRA5 P31644 6/20 0.34
BACE1 P56817 2/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BTK Q06187 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL286635 0.87 LMNA (0.46) LMNAPTGS2GABRA5BACE1MAPT
SCHEMBL286636 0.87 LMNA (0.46) LMNAPTGS2GABRA5BACE1MAPT
SCHEMBL286546 0.86 PTGS2 (0.41) LMNAKMT2ARETPTGS2GABRA5
SCHEMBL286212 0.86 PTGS2 (0.41) LMNAKMT2ARETPTGS2GABRA5
SCHEMBL286288 0.83 GABRA5 (0.45) GABRA5
SCHEMBL285913 0.83 GABRA5 (0.45) GABRA5
SCHEMBL285911 0.83 GABRA5 (0.45) GABRA5
SCHEMBL285559 0.83 POLB (0.40) LMNAKMT2APTGS2GABRA5BACE1
SCHEMBL286468 0.83 POLB (0.40) LMNAKMT2APTGS2GABRA5BACE1
SCHEMBL286118 0.83 POLB (0.40) LMNAKMT2APTGS2GABRA5BACE1

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
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed