SCHEMBL29142183

SCHEMBL29142183

CC(C)(C)OC(=O)Nc1ncccc1C(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
ATR Q13535 1/20 0.42
NAMPT P43490 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
DHODH Q02127 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL29857768 1.00 METAP1 (0.46) METAP1ATRNAMPTRXFP1DHODH
SCHEMBL29857825 0.85 METAP1 (0.38) METAP1ATRNAMPTRXFP1DHODH
SCHEMBL30026311 0.85 NAMPT (0.46) METAP1ATRNAMPTRXFP1HTT
SCHEMBL8984337 0.85 NAMPT (0.46) METAP1ATRNAMPTRXFP1HTT
SCHEMBL4669212 0.85 DHODH (0.51) METAP1ATRDHODHHTTKMT2A
SCHEMBL4351188 0.83 ATR (0.56) METAP1ATRNAMPTHTTPOLB
SCHEMBL14979175 0.82 METAP1 (0.44) METAP1ATRNAMPTHTTPOLB
SCHEMBL5466767 0.81 LMNA (0.51) METAP1ATRNAMPTRXFP1DHODH
SCHEMBL27611635 0.80 METAP1 (0.46) METAP1ATRNAMPTPOLBKMT2A
SCHEMBL2260258 0.80 METAP1 (0.46) METAP1ATRNAMPTHTTPOLB

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
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 CN disclosed