SCHEMBL28697205

SCHEMBL28697205

CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.40
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
PRMT1 Q99873 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAF1 P04049 1/20 0.35

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
SCHEMBL2973081 0.89 KDR (0.45) BRAFKDRFLT1
SCHEMBL29837315 0.89 KDR (0.45) BRAFKDRFLT1
SCHEMBL28686017 0.88 ALDH1A1 (0.43) BRAFKDRFLT1PRMT1MAPT
SCHEMBL28686012 0.87 KDR (0.40) BRAFKDRFLT1PRMT1MAPT
SCHEMBL28706536 0.87 KDR (0.43) BRAFKDRFLT1PRMT1MAPT
SCHEMBL28933364 0.87 GAA (0.44) KDRFLT1PRMT1MAPTPOLB
SCHEMBL29662384 0.87 KDR (0.43) BRAFKDRFLT1PRMT1MAPT
SCHEMBL28708282 0.87 BRAF (0.43) BRAFKDRFLT1AAK1LMNA
SCHEMBL9909777 0.85 BRAF (0.41) BRAFKDRFLT1PRMT1ALDH1A1
SCHEMBL28698586 0.85 PRMT1 (0.37) KDRFLT1AAK1PRMT1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed