SCHEMBL19906126

SCHEMBL19906126

Cc1cc2nc(-c3ccnc(-c4cnc5c(c4)c(C)cn5C)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL19906122 0.91 KDM4C (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906194 0.90 LMNA (0.33) KDM4ELMNASMN1; SMN2
SCHEMBL19905852 0.89 KDM4E (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906288 0.88 CSF1R (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906231 0.87 KDM4C (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906320 0.86 KDM4E (0.31) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906229 0.86 EIF4E (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906366 0.85 CTSA (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906268 0.85 EIF4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906102 0.85 KDM4E (0.32) KDM4EMEN1ALDH1A1KMT2APTGDR2

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