SCHEMBL19905992

SCHEMBL19905992

Cc1cc2nc(-c3ccnc(-c4ccc5c(c4)[nH]c(=O)n5C)c3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.34
MCHR1 Q99705 2/20 0.32
MAOB P27338 2/20 0.32
PTGS1 P23219 1/20 0.31
CYP2C19 P33261 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
SCHEMBL19905872 0.88 PTGDR2 (0.37) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906240 0.88 PTGDR2 (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905917 0.87 PTGDR2 (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906277 0.86 PTGDR2 (0.37) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905816 0.85 KDM4E (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905838 0.85 PTGDR2 (0.37) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905859 0.85 PTGDR2 (0.37) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905985 0.84 KDM4E (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906076 0.84 KDM4E (0.37) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL17547144 0.84 PTGDR2 (0.35) 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