SCHEMBL8695345

SCHEMBL8695345

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 4/20 0.35
ATM Q13315 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8692912 0.92 DPP4 (0.34) ALDH1A1MAPTATMDPP4FAP
SCHEMBL8926050 0.90 ALDH1A1 (0.38) ALDH1A1MAPTATMGAALMNA
SCHEMBL8693776 0.90 ALDH1A1 (0.38) ALDH1A1MAPTATMGAALMNA
SCHEMBL8694775 0.89 ALDH1A1 (0.39) ALDH1A1MAPTATMDPP4FAP
SCHEMBL8690726 0.89 ALDH1A1 (0.39) ALDH1A1MAPTATMDPP4FAP
SCHEMBL8690264 0.89 ALDH1A1 (0.39) ALDH1A1MAPTATMDPP4FAP
SCHEMBL8925692 0.86 DPP4 (0.36) ALDH1A1MAPTATMDPP4FAP
SCHEMBL8692917 0.86 DPP4 (0.36) ALDH1A1MAPTATMDPP4FAP
SCHEMBL8922061 0.86 DPP4 (0.35) ALDH1A1MAPTATMDPP4FAP
SCHEMBL9390647 0.84 ALDH1A1 (0.36) ALDH1A1MAPTATMDPP4FAP

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
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