SCHEMBL19906046

SCHEMBL19906046

Cc1cc2nc(-c3ccc(-c4cnc(=O)[nH]c4)cc3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
PPARD Q03181 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
DGAT1 O75907 1/20 0.30
SOAT1 P35610 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 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
SCHEMBL19906049 0.87 PTGDR2 (0.40) EIF4EPTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906137 0.87 PTGDR2 (0.39) EIF4EPTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906104 0.83 KDM4E (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906086 0.82 KDM4E (0.39) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906239 0.82 PTGDR2 (0.35) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906197 0.82 PTGDR2 (0.36) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905892 0.82 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906119 0.82 PTGDR2 (0.39) EIF4EPTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906229 0.81 EIF4E (0.36) EIF4EPTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906369 0.81 KDM4E (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A

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