SCHEMBL19906366

SCHEMBL19906366

COc1cc(-c2cc(-c3nc4cc(C)c(CC(=O)O)c(-c5ccc(Cl)cc5OC(C)(C)C)c4s3)ccn2)cnc1OC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 5/20 0.33
PIK3CG P48736 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL19906229 0.91 EIF4E (0.36) CTSALMNASMN1; SMN2KDM4EMEN1
SCHEMBL19906369 0.91 KDM4E (0.38) CTSALMNAKDM4EMEN1ALDH1A1
SCHEMBL19906015 0.89 PIK3CG (0.38) CTSALMNASCN9APIK3CGKDM4E
SCHEMBL19906268 0.87 EIF4E (0.38) CTSALMNASMN1; SMN2KDM4EMEN1
SCHEMBL19906328 0.86 PTGER1 (0.34) CTSALMNASMN1; SMN2KDM4EMEN1
SCHEMBL19906211 0.86 KDM4E (0.34) LMNASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19906122 0.86 KDM4C (0.34) LMNASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19906126 0.85 KDM4E (0.33) LMNASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19906320 0.85 KDM4E (0.31) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906059 0.85 KDM4E (0.33) CTSALMNASMN1; SMN2KDM4EMEN1

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