SCHEMBL9040595

SCHEMBL9040595

CC(=O)S[C@H]1C[C@@H](C(=O)N(C)CCCc2ccncc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
KCNH2 Q12809 2/20 0.33
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
CCR5 P51681 2/20 0.33
KCNJ1 P48048 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9040600 1.00 ATM (0.36) ATML3MBTL1KCNH2SLC2A1ALDH1A1
SCHEMBL9039615 0.88 ATM (0.37) ATML3MBTL1KCNH2SLC2A1ALDH1A1
SCHEMBL9042267 0.88 ATM (0.37) ATML3MBTL1KCNH2SLC2A1ALDH1A1
SCHEMBL9040590 0.85 MAPT (0.40) ATML3MBTL1ALDH1A1MAPTTDP1
SCHEMBL9200986 0.84 ALDH1A1 (0.39) ATML3MBTL1ALDH1A1MAPTHPGD
SCHEMBL9728220 0.84 ALDH1A1 (0.39) ATML3MBTL1ALDH1A1MAPTHPGD
SCHEMBL9201993 0.84 ALDH1A1 (0.39) ATML3MBTL1ALDH1A1MAPTHPGD
SCHEMBL9728172 0.84 ALDH1A1 (0.39) ATML3MBTL1ALDH1A1MAPTHPGD
SCHEMBL195654 0.84 ALDH1A1 (0.39) ATML3MBTL1ALDH1A1MAPTHPGD
SCHEMBL5095110 0.80 ATM (0.43) ATML3MBTL1ALDH1A1MAPTHPGD

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