SCHEMBL9039615

SCHEMBL9039615

CN(CCCc1ccncc1)C(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
KCNH2 Q12809 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
CCR5 P51681 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL9042267 1.00 ATM (0.37) ATMKCNH2L3MBTL1SLC2A1ALDH1A1
SCHEMBL9040600 0.88 ATM (0.36) ATMKCNH2L3MBTL1SLC2A1ALDH1A1
SCHEMBL9040595 0.88 ATM (0.36) ATMKCNH2L3MBTL1SLC2A1ALDH1A1
SCHEMBL9040751 0.85 AOC3 (0.40) ATML3MBTL1ALDH1A1MAPTTDP1
SCHEMBL9040072 0.84 POLB (0.42) ATML3MBTL1ALDH1A1MAPTPOLB
SCHEMBL9040067 0.84 POLB (0.42) ATML3MBTL1ALDH1A1MAPTPOLB
SCHEMBL9044938 0.83 POLB (0.39) POLBNPC1SMN1; SMN2
SCHEMBL9038821 0.83 MAPT (0.41) ATML3MBTL1ALDH1A1MAPTPOLB
SCHEMBL9205224 0.83 ALDH1A1 (0.43) ATMALDH1A1MAPTHPGDCCR5
SCHEMBL337168 0.83 ALDH1A1 (0.43) ATMALDH1A1MAPTHPGDCCR5

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 3 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
US-5227376-A Quaternary ammonium carbapenem antibiotics SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1993-07-13 US disclosed
EP-0442497-A1 Novel beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-21 EP disclosed