SCHEMBL19906268

SCHEMBL19906268

CCOc1ncc(-c2cc(-c3nc4cc(C)c(CC(=O)O)c(-c5ccc(Cl)cc5OC(C)(C)C)c4s3)ccn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.38
KDM4E B2RXH2 2/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SHMT1 P34896 3/20 0.31
SHMT2 P34897 2/20 0.30
CTSA P10619 1/20 0.30
PTGS2 P35354 1/20 0.30
AGPAT2 O15120 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
SCHEMBL19906229 0.93 EIF4E (0.36) EIF4EKDM4ECDC7DBF4MEN1
SCHEMBL19906269 0.88 EIF4E (0.40) EIF4EKDM4ECDC7DBF4MEN1
SCHEMBL19905873 0.87 SHMT1 (0.32) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906366 0.87 CTSA (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906328 0.86 PTGER1 (0.34) EIF4EKDM4ECDC7DBF4MEN1
SCHEMBL19906288 0.86 CSF1R (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905857 0.86 HRH4 (0.34) KDM4ELMNA
SCHEMBL19906369 0.86 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906211 0.86 KDM4E (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906122 0.86 KDM4C (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2

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