SCHEMBL19905772

SCHEMBL19905772

Cc1cc2nc(-c3ccnc(-c4cncc(C(N)=O)c4)c3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.33
SCN2A Q99250 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
TYK2 P29597 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CTSA P10619 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL19906329 0.94 KDM4E (0.36) MAP4K4PTGDR2KDM4EALDH1A1MEN1
SCHEMBL19905802 0.91 MAP4K4 (0.43) MAP4K4PTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906059 0.88 KDM4E (0.33) MAP4K4PTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906249 0.85 ALDH1A1 (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906236 0.83 PTGDR2 (0.38) MAP4K4PTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906247 0.83 ABL1 (0.40) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17547144 0.82 PTGDR2 (0.35) MAP4K4PTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906269 0.82 EIF4E (0.40) MAP4K4PTGDR2KDM4EALDH1A1MEN1
SCHEMBL19906287 0.82 KDR (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15341117 0.82 MAP4K4 (0.37) MAP4K4CYP11B1CYP11B2

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