SCHEMBL19906236

SCHEMBL19906236

COc1ncc(-c2cc(-c3nc4cc(C)c(CC(=O)O)c(-c5ccc(Cl)cc5)c4s3)ccn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.38
EIF4E P06730 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARD Q03181 4/20 0.34
CYP2C19 P33261 2/20 0.33
CTSA P10619 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL19906269 0.93 EIF4E (0.40) PTGDR2EIF4EKDM4EALDH1A1MEN1
SCHEMBL19906139 0.91 PTGDR2 (0.43) PTGDR2EIF4EKDM4EALDH1A1MEN1
SCHEMBL19906015 0.89 PIK3CG (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906249 0.88 ALDH1A1 (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906064 0.88 KDM4E (0.41) PTGDR2EIF4EKDM4EALDH1A1MEN1
SCHEMBL19906229 0.88 EIF4E (0.36) PTGDR2EIF4EKDM4EALDH1A1MEN1
SCHEMBL19905964 0.86 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906275 0.85 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905874 0.85 PTGDR2 (0.35) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17547091 0.85 EIF4E (0.41) PTGDR2EIF4EKDM4EALDH1A1MEN1

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-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed