SCHEMBL19906320

SCHEMBL19906320

Cc1cc2nc(-c3ccnc(-c4cnc5cnn(C)c5c4)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP2C19 P33261 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
SCHEMBL19905988 0.90 KDM4E (0.35) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906017 0.90 KDM4E (0.32) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906069 0.89 EGFR (0.35) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906231 0.89 KDM4C (0.33) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906317 0.88 PTGDR2 (0.35) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906374 0.88 POLQ (0.33) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906288 0.88 CSF1R (0.35) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906122 0.87 KDM4C (0.34) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906126 0.86 KDM4E (0.33) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906229 0.86 EIF4E (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