SCHEMBL8689975

SCHEMBL8689975

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
GAA P10253 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8693510 0.90 DPP8 (0.38) HTR2AGAADPP8DPP9ALDH1A1
SCHEMBL8691727 0.90 TDP1 (0.38) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8922523 0.90 TDP1 (0.38) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8924556 0.90 DPP8 (0.38) HTR2AGAADPP8DPP9ALDH1A1
SCHEMBL8689896 0.89 DPP8 (0.37) HTR2AGAADPP8DPP9ALDH1A1
SCHEMBL8922560 0.89 HTR2A (0.38) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8691061 0.89 HTR2A (0.38) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL9390729 0.85 HTR2A (0.44) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8697407 0.85 HTR2A (0.44) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL9794983 0.81 ALDH1A1 (0.39) HTR2AGAADPP8DPP9ALDH1A1

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
US-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed