SCHEMBL3628329

SCHEMBL3628329

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

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
MAPT P10636 1/20 0.31
CIT O14578 1/20 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
PDGFRA P16234 1/20 0.30
KDR P35968 1/20 0.30
CDK8 P49336 1/20 0.30
NTRK3 Q16288 1/20 0.30
MAPK14 Q16539 1/20 0.30
NTRK2 Q16620 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
SCHEMBL3626388 0.91 CA1 (0.34) CA1CA2F2F10PRSS1
SCHEMBL3629194 0.89 CA1 (0.31) CA1CA2F2F10PRSS1
SCHEMBL3628323 0.86 F2 (0.31) F2F10PRSS1
SCHEMBL3629991 0.86 ITGB1 (0.31) F2F10PRSS1
SCHEMBL3621526 0.79 F2 (0.34) CA1CA2F2F10PRSS1
SCHEMBL3625713 0.79 BACE1 (0.31) CA1CA2F2F10PRSS1
SCHEMBL3627781 0.78 PDK1 (0.35) F2F10PRSS1NTRK1RET
SCHEMBL2522212 0.78 LMNA (0.36)
SCHEMBL981082 0.77 HPGD (0.32) CA1CA2MAPT
SCHEMBL3629974 0.77 PDE3B (0.30)

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