SCHEMBL19210395

SCHEMBL19210395

Cc1nc(-c2ccc(-c3nc(C(CCC(=O)O)Oc4ccc(F)c(C(N)=O)c4F)oc3Br)cc2)no1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.36
S1PR3 Q99500 10/20 0.36
S1PR5 Q9H228 10/20 0.36
FFAR1 O14842 3/20 0.33
TPH1 P17752 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL13733841 0.91 LMNA (0.33) S1PR1S1PR3S1PR5TPH1LMNA
SCHEMBL13736704 0.88 LMNA (0.35) S1PR1S1PR3S1PR5TPH1LMNA
SCHEMBL19210474 0.87 RXRA (0.34) FFAR1
SCHEMBL19210393 0.86 MAPT (0.35) LMNA
SCHEMBL19210419 0.85 CTSA (0.34) S1PR1S1PR3S1PR5
SCHEMBL13734658 0.85 PTPN1 (0.34) S1PR3S1PR5FFAR1
SCHEMBL19210438 0.84 IMPDH2 (0.33) S1PR1S1PR3S1PR5
SCHEMBL19210396 0.84 S1PR1 (0.35) S1PR1TPH1LMNATSHRNFKB1
SCHEMBL19210449 0.83 FFAR4 (0.36) FFAR1
SCHEMBL19210489 0.81 RXRA (0.39) FFAR1LMNA

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