SCHEMBL19906060

SCHEMBL19906060

COc1ncc(-c2cccc(-c3nc4cc(C)c(CC(=O)O)c(-c5ccc(Cl)cc5OC(C)(C)C)c4s3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
CTSA P10619 8/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EIF4E P06730 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
PPARD Q03181 1/20 0.32
FFAR1 O14842 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL19906137 0.94 PTGDR2 (0.39) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19906086 0.92 KDM4E (0.39) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19906157 0.90 KDM4E (0.38) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19906229 0.90 EIF4E (0.36) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19906322 0.89 CNR1 (0.38) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19906064 0.87 KDM4E (0.41) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19906061 0.87 KDM4E (0.37) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19905880 0.86 KDM4E (0.38) KDM4EPTGDR2MEN1KMT2AALDH1A1
SCHEMBL19905988 0.86 KDM4E (0.35) KDM4ECTSAPTGDR2MEN1KMT2A
SCHEMBL19905850 0.85 KDM4E (0.36) KDM4ECTSAPTGDR2MEN1KMT2A

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