SCHEMBL19906352

SCHEMBL19906352

Cc1cc2nc(-c3ccc4c(n3)c(C)nn4C)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B1 P15121 2/20 0.30
PTGS1 P23219 1/20 0.30
CYP2C19 P33261 1/20 0.30
S1PR1 P21453 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
SCHEMBL19906161 0.90 KDM4E (0.35) PTGDR2KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19906351 0.86 PTGDR2 (0.41) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906169 0.85 KDM4E (0.35) PTGDR2KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19906280 0.83 KDM4E (0.34) PTGDR2KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19905856 0.83 KDM4E (0.35) PTGDR2KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19906391 0.82 KDM4E (0.33) PTGDR2KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19906147 0.82 PTGDR2 (0.36) PTGDR2KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19906129 0.82 EGFR (0.33) PTGDR2KDM4ELMNASMN1; SMN2PTGS1
SCHEMBL19906361 0.81 KDM4E (0.33) PTGDR2KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19906197 0.80 PTGDR2 (0.36) PTGDR2KDM4ELMNASMN1; SMN2MEN1

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