SCHEMBL3626388

SCHEMBL3626388

CC(Br)C(=O)Nc1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
MAPT P10636 4/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
MAPK1 P28482 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
THRB P10828 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CIT O14578 1/20 0.30
MAPK14 Q16539 2/20 0.30
GRM4 Q14833 1/20 0.30
NTRK1 P04629 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30

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
SCHEMBL3628329 0.91 CA1 (0.32) CA1CA2MAPTF2F10
SCHEMBL3629194 0.89 CA1 (0.31) CA1CA2MAPTF2F10
SCHEMBL3628323 0.86 F2 (0.31) F2F10PRSS1
SCHEMBL3629991 0.86 ITGB1 (0.31) F2F10PRSS1
SCHEMBL3625713 0.80 BACE1 (0.31) CA1CA2MAPK1F2F10
SCHEMBL3627781 0.80 PDK1 (0.35) F2F10PRSS1PDE3BPDE3A
SCHEMBL3621526 0.79 F2 (0.34) CA1CA2F2F10PRSS1
SCHEMBL3629974 0.79 PDE3B (0.30) PDE3BPDE3A
SCHEMBL2522212 0.78 LMNA (0.36)
SCHEMBL981082 0.77 HPGD (0.32) CA1CA2MAPTKDM4EPDE3B

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-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP disclosed