SCHEMBL19905936

SCHEMBL19905936

Cc1cc2nc(-c3ccnc(-c4ccc5c(c4)N(C)CC5)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

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
CPT1A P50416 1/20 0.31
CPT1B Q92523 1/20 0.31
PPARD Q03181 2/20 0.31
EIF4EBP1 Q13541 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL19906193 0.95 CASP3 (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906108 0.90 CPT1A (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905938 0.89 PTGDR2 (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906394 0.88 GRM5 (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906288 0.85 CSF1R (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906369 0.85 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905857 0.85 HRH4 (0.34) KDM4EPPARDEIF4EBP1PPARGPPARA
SCHEMBL19906196 0.85 PTGER3 (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906107 0.84 CPT1A (0.32) 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