SCHEMBL19906240

SCHEMBL19906240

Cc1cc2nc(-c3ccnc(-c4ccc5ccc(=O)[nH]c5c4)c3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 4/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAP4K4 O95819 1/20 0.32
MCHR1 Q99705 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
SCHEMBL19905838 0.94 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906239 0.88 PTGDR2 (0.35) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905992 0.88 PTGDR2 (0.36) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906265 0.86 KDM4E (0.35) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906277 0.86 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905917 0.85 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905872 0.85 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905817 0.84 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905802 0.84 MAP4K4 (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906249 0.84 ALDH1A1 (0.43) 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