SCHEMBL9040592

SCHEMBL9040592

CN1CCN(C(=O)C2CC(S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPBWR1 P48145 2/20 0.40
MCHR1 Q99705 2/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL9040433 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKMT2AMEN1GAA
Trifluoromethanesulfonic Acid SCHEMBL9125753 0.92 CCR5 (0.39) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL9728223 0.91 DPP8 (0.46) NPBWR1MCHR1TDP1
SCHEMBL9119637 0.90 DPP8 (0.45) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL8536750 0.90 KCNJ1 (0.42) ALDH1A1KMT2ASMN1; SMN2ATMHRH2
Dimethylamine SCHEMBL6943989 0.90 ALDH1A1 (0.41) ALDH1A1HPGDKMT2AMAPTLMNA
SCHEMBL8438589 0.90 KCNJ1 (0.42) ALDH1A1KMT2ASMN1; SMN2ATMHRH2
Trifluoromethanesulfonic Acid SCHEMBL9127836 0.89 CCR5 (0.37) NPBWR1MCHR1
SCHEMBL8588093 0.89 PDK1 (0.45) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL8435953 0.89 PDK1 (0.45) ALDH1A1HPGDKMT2AMEN1MAPT

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