SCHEMBL19906280

SCHEMBL19906280

Cc1cc2nc(-c3ccnc(-c4ccc5c(c4)c(C)nn5C)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
CYP2C19 P33261 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
SCHEMBL19906192 0.93 PTGDR2 (0.32) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906078 0.91 SHMT1 (0.31) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906145 0.90 KEAP1 (0.34) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906283 0.89 KDM4E (0.33) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906076 0.89 KDM4E (0.37) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906167 0.87 PTGES2 (0.36) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19905856 0.87 KDM4E (0.35) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906102 0.86 KDM4E (0.32) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906274 0.86 PTGDR2 (0.34) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906147 0.86 PTGDR2 (0.36) KDM4EPTGDR2MEN1ALDH1A1KMT2A

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