SCHEMBL19906351

SCHEMBL19906351

Cc1cc2nc(-c3ccc4c(n3)c(C)nn4C)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.41
KDM4E B2RXH2 3/20 0.38
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL19906162 0.89 KDM4E (0.39) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19905960 0.87 KDM4E (0.42) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19906352 0.86 PTGDR2 (0.36) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL17547120 0.85 KDM4E (0.37) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19906186 0.85 KDM4E (0.42) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19905792 0.84 PTGDR2 (0.35) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19906166 0.83 KDM4E (0.40) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19906076 0.82 KDM4E (0.37) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19905855 0.82 KDM4E (0.39) PTGDR2KDM4EPDE5APDE1APDE1B
SCHEMBL19905953 0.81 KDM4E (0.42) PTGDR2KDM4EPDE5APDE1APDE1B

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