SCHEMBL8923174

SCHEMBL8923174

CC(SC[C@@H]1C[C@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)NCC#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.37
ATM Q13315 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL8694799 1.00 TDP1 (0.37) TDP1POLBHTR2AATMDPP4
SCHEMBL8694742 0.92 TDP1 (0.37) TDP1HTR2AATMDPP4FAP
SCHEMBL8689891 0.89 TDP1 (0.34) TDP1HTR2AATMDPP4FAP
SCHEMBL8924036 0.89 TDP1 (0.34) TDP1HTR2AATMDPP4FAP
SCHEMBL8925692 0.89 DPP4 (0.36) TDP1HTR2AATMDPP4FAP
SCHEMBL8692917 0.89 DPP4 (0.36) TDP1HTR2AATMDPP4FAP
SCHEMBL8690852 0.89 HTR2A (0.37) TDP1POLBHTR2ADPP8DPP9
SCHEMBL9388494 0.89 HTR2A (0.37) TDP1POLBHTR2ADPP8DPP9
SCHEMBL8924553 0.86 ALDH1A1 (0.33) TDP1HTR2AATMDPP4FAP
SCHEMBL8690726 0.85 ALDH1A1 (0.39) TDP1POLBATMDPP4FAP

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-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