SCHEMBL9040751

SCHEMBL9040751

CN(CCc1cccnc1)C(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
C3AR1 Q16581 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FKBP1A P62942 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9040072 0.85 POLB (0.42) MAPTRAB9AATMTDP1L3MBTL1
SCHEMBL9040067 0.85 POLB (0.42) MAPTRAB9AATMTDP1L3MBTL1
SCHEMBL9042267 0.85 ATM (0.37) MAPTATMTDP1L3MBTL1ALDH1A1
SCHEMBL9039615 0.85 ATM (0.37) MAPTATMTDP1L3MBTL1ALDH1A1
SCHEMBL9044938 0.82 POLB (0.39)
SCHEMBL9727986 0.81 ALDH1A1 (0.43) MAPTRAB9AATMTDP1ALDH1A1
SCHEMBL9205224 0.81 ALDH1A1 (0.43) MAPTRAB9AATMTDP1ALDH1A1
SCHEMBL336792 0.81 ALDH1A1 (0.43) MAPTRAB9AATMTDP1ALDH1A1
SCHEMBL337168 0.81 ALDH1A1 (0.43) MAPTRAB9AATMTDP1ALDH1A1
SCHEMBL9208976 0.81 ALDH1A1 (0.43) MAPTRAB9AATMTDP1ALDH1A1

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-0442497-B1 Novel beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1996-08-14 EP disclosed
EP-0442497-A1 Novel beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-21 EP disclosed