SCHEMBL8639604

SCHEMBL8639604

CC(C)(C)OC(=O)N1CC[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C1.N[C@@H](C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
NTSR1 P30989 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NT5E P21589 1/20 0.38

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
SCHEMBL8300349 0.76 EGFR (0.42) L3MBTL1MAPTMAPK1NPSR1GPR119
SCHEMBL8638733 0.76 EGFR (0.42) L3MBTL1MAPTMAPK1NPSR1GPR119
SCHEMBL8640829 0.76 EGFR (0.42) L3MBTL1MAPTMAPK1NPSR1GPR119
SCHEMBL9230276 0.72 POLB (0.46) ABL1RIN1KDM4EPKMSRC
SCHEMBL9230285 0.71 POLB (0.47) USP30ABL1RIN1KDM4EPKM
SCHEMBL9230291 0.70 ABL1 (0.41) ABL1RIN1SRCPOLB
SCHEMBL9230690 0.70 ABCB1 (0.40) ABL1RIN1SRCPOLBALDH1A1
SCHEMBL7532354 0.69 POLB (0.42) ABL1RIN1KDM4EPKMSRC
SCHEMBL8304924 0.69 POLB (0.44) ABL1RIN1KDM4EPKMSRC
SCHEMBL9230297 0.69 ABL1 (0.40) ABL1RIN1GPR119SRCPOLB

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
US-5849893-A Nucleic acid-binding oligomers possessing C-branching for therapy and diagnostics BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed