SCHEMBL19905901

SCHEMBL19905901

Cc1cc2nc(-c3ccnc(-c4cc(C)c5[nH]ncc5c4)c3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK8 P45983 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TGFBR1 P36897 1/20 0.32
MAP4K4 O95819 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 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
SCHEMBL19905941 0.86 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906210 0.83 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906014 0.83 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15345029 0.82 CYP3A4 (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15332667 0.82 CYP3A4 (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906236 0.82 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905838 0.82 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906287 0.82 KDR (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906329 0.82 KDM4E (0.36) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906269 0.82 EIF4E (0.40) 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