SCHEMBL19905945

SCHEMBL19905945

Cc1cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)ncc3C(F)F)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
USP7 Q93009 1/20 0.34
POLQ O75417 1/20 0.33
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
AR P10275 5/20 0.31
CDK8 P49336 3/20 0.31
CCNC P24863 2/20 0.31
LIPG Q9Y5X9 1/20 0.31
KMO O15229 1/20 0.30
CDK19 Q9BWU1 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
SCHEMBL19906180 0.88 PTGDR2 (0.41) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905859 0.87 PTGDR2 (0.37) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL17547145 0.87 PTGDR2 (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906146 0.87 PTGDR2 (0.36) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906009 0.85 PTGDR2 (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905864 0.85 PTGDR2 (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906010 0.85 KDM4E (0.36) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906378 0.84 PTGDR2 (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905803 0.84 KDM4E (0.39) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906026 0.84 PTGDR2 (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A

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