SCHEMBL19210465

SCHEMBL19210465

NC(=O)c1c(F)ccc(OC(CCS(=O)(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)o2)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
IKBKB O14920 1/20 0.33
DHODH Q02127 1/20 0.32
CHEK2 O96017 1/20 0.31
PTPN1 P18031 2/20 0.31
CETP P11597 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
SCHEMBL19210454 0.93 P2RX3 (0.33) IKBKBDHODH
SCHEMBL19210490 0.89 PTGDR2 (0.38) PTGDR2IKBKBDHODHPTPN1
SCHEMBL13734189 0.88 PTGDR2 (0.36) PTGDR2IKBKBDHODHCHEK2
SCHEMBL13732883 0.86 PTGDR2 (0.33) PTGDR2IKBKBDHODHPTPN1
SCHEMBL13732560 0.86 PTGDR2 (0.35) PTGDR2IKBKBDHODHCHEK2PTPN1
SCHEMBL13826889 0.85 PTGDR2 (0.34) PTGDR2IKBKBDHODHCHEK2
SCHEMBL19210399 0.85 PTGDR2 (0.37) PTGDR2IKBKBDHODHPTPN1
SCHEMBL13732961 0.85 PTGDR2 (0.34) PTGDR2IKBKBDHODHPTPN1
SCHEMBL13732675 0.83 SCN9A (0.36) PTGDR2IKBKBDHODHCHEK2PTPN1
SCHEMBL13733312 0.81 DHODH (0.34) PTGDR2DHODHPTPN1

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-2699557-B1 3-(OXAZOL-2-YL-ETHOXY)- AND 3-(THIAZOL-2-YL-ETHOXY)-BENZAMIDE DERIVATIVES AS ANTI-BACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2017-08-16 EP claimed