SCHEMBL19906169

SCHEMBL19906169

Cc1cc2nc(-c3ccc4nn(C)cc4n3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
F11 P03951 7/20 0.32
KLKB1 P03952 6/20 0.32
PPARD Q03181 4/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 2/20 0.32
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
SCHEMBL19906072 0.91 KDM4E (0.34) KDM4ESMN1; SMN2LMNAF11KLKB1
SCHEMBL19906039 0.88 PPARD (0.33) KDM4ESMN1; SMN2LMNAPPARDPPARG
SCHEMBL19906161 0.88 KDM4E (0.35) KDM4ESMN1; SMN2LMNAPPARDPTGDR2
SCHEMBL19906172 0.87 LMNA (0.38) KDM4ESMN1; SMN2LMNAF11KLKB1
SCHEMBL19905888 0.86 KDM4E (0.35) KDM4ESMN1; SMN2LMNAF11KLKB1
SCHEMBL19906352 0.85 PTGDR2 (0.36) KDM4ESMN1; SMN2LMNAPTGDR2MEN1
SCHEMBL19906166 0.85 KDM4E (0.40) KDM4ESMN1; SMN2LMNAPTGDR2MEN1
SCHEMBL19906314 0.83 KDM4E (0.40) KDM4ESMN1; SMN2LMNAPTGDR2MEN1
SCHEMBL19906391 0.81 KDM4E (0.33) KDM4ESMN1; SMN2LMNAPPARDPTGDR2
SCHEMBL19905880 0.81 KDM4E (0.38) KDM4ESMN1; SMN2LMNAPTGDR2MEN1

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