SCHEMBL19906167

SCHEMBL19906167

Cc1cc2nc(-c3ccc4c(c3)c(-c3cnccn3)nn4C)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.36
NAMPT P43490 3/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
EIF4EBP1 Q13541 1/20 0.32
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGS1 P23219 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19906174 0.89 NAMPT (0.36) PTGES2NAMPTPTGDR2KDM4EMEN1
SCHEMBL19906280 0.87 KDM4E (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906361 0.86 KDM4E (0.33) NAMPTPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906192 0.86 PTGDR2 (0.32) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905856 0.86 KDM4E (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906147 0.84 PTGDR2 (0.36) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906078 0.84 SHMT1 (0.31) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906145 0.82 KEAP1 (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906283 0.82 KDM4E (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906171 0.81 KDM4E (0.36) PTGDR2KDM4EMEN1ALDH1A1KMT2A

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