SCHEMBL8925692

SCHEMBL8925692

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
ATM Q13315 1/20 0.36
FAP Q12884 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
CTSL P07711 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CTSS P25774 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
SCHEMBL8692917 1.00 DPP4 (0.36) DPP4DPP7ATMFAPTDP1
SCHEMBL8921870 0.89 HTR2A (0.35) DPP4DPP7ATMFAPHTR2A
SCHEMBL8690163 0.89 HTR2A (0.35) DPP4DPP7ATMFAPHTR2A
SCHEMBL8923174 0.89 TDP1 (0.37) DPP4DPP7ATMFAPTDP1
SCHEMBL8694742 0.89 TDP1 (0.37) DPP4DPP7ATMFAPTDP1
SCHEMBL8694799 0.89 TDP1 (0.37) DPP4DPP7ATMFAPTDP1
SCHEMBL8695345 0.86 ALDH1A1 (0.37) DPP4DPP7ATMFAPTDP1
SCHEMBL8689891 0.85 TDP1 (0.34) DPP4DPP7ATMFAPTDP1
SCHEMBL8924036 0.85 TDP1 (0.34) DPP4DPP7ATMFAPTDP1
SCHEMBL8692912 0.85 DPP4 (0.34) DPP4DPP7ATMFAPTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed