SCHEMBL19906122

SCHEMBL19906122

Cc1cc2nc(-c3ccnc(-c4cnc5c(c4)ncn5C)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19906126 0.91 KDM4E (0.33) KDM4CKDM2BKDM4EMEN1ALDH1A1
SCHEMBL19906231 0.91 KDM4C (0.33) KDM4CKDM2BKDM5BKDM4EMEN1
SCHEMBL19905939 0.88 PTGDR2 (0.35) KDM4CKDM5BKDM4EMEN1ALDH1A1
SCHEMBL19906320 0.87 KDM4E (0.31) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906288 0.87 CSF1R (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906229 0.87 EIF4E (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906366 0.86 CTSA (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906268 0.86 EIF4E (0.38) KDM4CKDM2BKDM4EMEN1ALDH1A1
SCHEMBL19906197 0.86 PTGDR2 (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906069 0.85 EGFR (0.35) KDM4CKDM2BKDM4EMEN1ALDH1A1

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