SCHEMBL19906210

SCHEMBL19906210

Cc1cc2nc(-c3ccc4[nH]ncc4c3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STK17A Q9UEE5 2/20 0.41
STK17B O94768 1/20 0.41
MAP3K8 P41279 1/20 0.41
CDK2 P24941 4/20 0.40
AKT1 P31749 2/20 0.40
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
ROCK2 O75116 3/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CLK2 P49760 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
PRKG1 Q13976 1/20 0.38

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 0.87 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15526313 0.84 CDK2 (0.35) MEN1KMT2ASTK17ASTK17BMAP3K8
SCHEMBL19905901 0.83 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905957 0.82 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905949 0.82 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906092 0.82 PTGDR2 (0.48) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906105 0.81 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906180 0.81 PTGDR2 (0.41) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19017855 0.80 PTGDR2 (0.52) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19905978 0.80 PTGDR2 (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