SCHEMBL19906314

SCHEMBL19906314

Cc1cc2nc(-c3cccc(-c4cn(C)nc4C)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CTSA P10619 1/20 0.34
MAPK1 P28482 4/20 0.33
SHMT1 P34896 1/20 0.33
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
SCHEMBL19905880 0.89 KDM4E (0.38) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19906316 0.87 KDM4E (0.43) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19906172 0.85 LMNA (0.38) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19905888 0.85 KDM4E (0.35) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19906086 0.85 KDM4E (0.39) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19905850 0.84 KDM4E (0.36) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19906061 0.84 KDM4E (0.37) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19906060 0.83 KDM4E (0.38) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19906068 0.83 KDM4E (0.38) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A
SCHEMBL19906169 0.83 KDM4E (0.35) KDM4ESMN1; SMN2LMNAPTGDR2KMT2A

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