SCHEMBL13286249

SCHEMBL13286249

COCc1cc(C(N)=O)ccc1-c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.39
FYN P06241 2/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MAPK1 P28482 1/20 0.38
CHEK1 O14757 2/20 0.37
PRKCZ Q05513 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
MAP4K4 O95819 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
AR P10275 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL792097 0.86 MAP4K4 (0.45) CHEK2FYNMAP4K4
SCHEMBL13285969 0.85 ROCK2 (0.36) PLAUPLAT
SCHEMBL13286264 0.84 RECQL (0.40) MAPK1HTR7HTR2B
SCHEMBL13286176 0.84 PLK1 (0.39)
SCHEMBL13286258 0.82 ALDH1A1 (0.36)
SCHEMBL13286175 0.82 HSP90AA1 (0.48)
SCHEMBL13285984 0.82 CA12 (0.39) HTR7HTR2BCA1CA2
SCHEMBL10252263 0.81 FYN (0.40) CHEK2FYNMKNK1MKNK2CHEK1
SCHEMBL13286262 0.81 PDK2 (0.40)
SCHEMBL13286177 0.81 HPGD (0.44) CA1CA2

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-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed