SCHEMBL19906142

SCHEMBL19906142

Cc1cc2nc(-c3ccc4c(c3)CN(C)C4=O)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 12/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
EIF4EBP1 Q13541 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
UGCG Q16739 1/20 0.33

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
SCHEMBL19906141 0.92 PRF1 (0.37) PRF1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906171 0.83 KDM4E (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906197 0.82 PTGDR2 (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906412 0.82 TP53 (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906193 0.82 CASP3 (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905880 0.81 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906107 0.81 CPT1A (0.32) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905892 0.81 PTGDR2 (0.37) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906119 0.81 PTGDR2 (0.39) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905856 0.81 KDM4E (0.35) 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