SCHEMBL19906017

SCHEMBL19906017

Cc1cc2nc(-c3ccnc(-c4cc5cnn(C)c5cn4)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

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
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
EIF4EBP1 Q13541 1/20 0.30
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
SCHEMBL19906391 0.93 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906374 0.91 POLQ (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906320 0.90 KDM4E (0.31) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906069 0.90 EGFR (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906023 0.88 PTGDR2 (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906288 0.87 CSF1R (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906150 0.86 RORC (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906214 0.86 KMO (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906145 0.84 KEAP1 (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906072 0.84 KDM4E (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