SCHEMBL19906239

SCHEMBL19906239

Cc1cc2nc(-c3ccnc(-c4ccc5ccc(=O)[nH]c5c4)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 3/20 0.34
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SHMT1 P34896 2/20 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
SCHEMBL19906240 0.88 PTGDR2 (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906266 0.88 KDM4E (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906274 0.88 PTGDR2 (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906369 0.87 KDM4E (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906291 0.86 PTGDR2 (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906120 0.85 KDM4E (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905897 0.85 MAPT (0.39) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL19906102 0.85 KDM4E (0.32) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906044 0.85 SHMT1 (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906036 0.85 PTGDR2 (0.40) 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