SCHEMBL19906102

SCHEMBL19906102

Cc1cc2nc(-c3ccnc(-c4ccc5ccn(C)c(=O)c5c4)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
EIF4EBP1 Q13541 6/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AKR1B1 P15121 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
SCHEMBL19906047 0.89 KDM4E (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906283 0.89 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906266 0.88 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906274 0.87 PTGDR2 (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906280 0.86 KDM4E (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906126 0.85 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906239 0.85 PTGDR2 (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906192 0.85 PTGDR2 (0.32) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906369 0.85 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906145 0.84 KEAP1 (0.34) 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