SCHEMBL18098972

SCHEMBL18098972

CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)Nc2ccc(-c3cn(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)[C@@H]1OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.35
ACHE P22303 1/20 0.35
IDH1 O75874 1/20 0.35
EPHX2 P34913 3/20 0.35
ABL1 P00519 6/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL18098943 1.00 SCN10A (0.35) SCN10AACHEIDH1EPHX2ABL1
SCHEMBL13741452 0.94 CXCR2 (0.37) SCN10AACHEIDH1EPHX2ABL1
SCHEMBL18098879 0.93 CXCR2 (0.37) IDH1EPHX2ABL1
SCHEMBL4549502 0.90 DHODH (0.35) SCN10AEPHX2ABL1TP53MAPT
SCHEMBL2743568 0.84 MAP4K4 (0.38) SCN10AIDH1ABL1MAPTADORA3
SCHEMBL4549498 0.84 MAPT (0.37) SCN10AACHEEPHX2ABL1MAPT
SCHEMBL20550978 0.84 MAPT (0.37) SCN10AACHEEPHX2ABL1MAPT
SCHEMBL2743569 0.84 MAP4K4 (0.38) SCN10AIDH1ABL1MAPTADORA3
SCHEMBL18098884 0.80 MAPT (0.38) SCN10AACHEIDH1EPHX2ABL1
SCHEMBL18098907 0.80 MAOA (0.33) IDH1MAPTADORA3MAOAMAOB

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-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed