SCHEMBL19906361

SCHEMBL19906361

Cc1cc2nc(-c3nn(C)c4ccncc34)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
NAMPT P43490 6/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
EIF4EBP1 Q13541 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
SCHEMBL19906167 0.86 PTGES2 (0.36) KDM4ELMNASMN1; SMN2NAMPTPTGDR2
SCHEMBL19906365 0.86 NAMPT (0.38) KDM4ESMN1; SMN2KDM4CNAMPTPTGDR2
SCHEMBL19905856 0.83 KDM4E (0.35) KDM4ELMNASMN1; SMN2PTGDR2MEN1
SCHEMBL19906147 0.82 PTGDR2 (0.36) KDM4ELMNASMN1; SMN2PTGDR2MEN1
SCHEMBL19906119 0.82 PTGDR2 (0.39) KDM4ELMNASMN1; SMN2PTGDR2MEN1
SCHEMBL19906352 0.81 PTGDR2 (0.36) KDM4ELMNASMN1; SMN2PTGDR2MEN1
SCHEMBL19906280 0.81 KDM4E (0.34) KDM4ELMNASMN1; SMN2PTGDR2MEN1
SCHEMBL19906405 0.81 KDM4E (0.35) KDM4ELMNASMN1; SMN2PTGDR2MEN1
SCHEMBL19906192 0.80 PTGDR2 (0.32) KDM4ELMNASMN1; SMN2PTGDR2MEN1
SCHEMBL19906391 0.79 KDM4E (0.33) KDM4ELMNASMN1; SMN2PTGDR2MEN1

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