SCHEMBL8922523

SCHEMBL8922523

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37
HTR2A P28223 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CTSS P25774 4/20 0.36
CTSL P07711 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 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
SCHEMBL8691727 1.00 TDP1 (0.38) TDP1ATMHTR2ADPP8DPP9
SCHEMBL8689975 0.90 HTR2A (0.37) TDP1HTR2ADPP8DPP9ALDH1A1
SCHEMBL8693510 0.88 DPP8 (0.38) TDP1ATMHTR2ADPP8DPP9
SCHEMBL8924556 0.88 DPP8 (0.38) TDP1ATMHTR2ADPP8DPP9
SCHEMBL8689896 0.87 DPP8 (0.37) TDP1ATMHTR2ADPP8DPP9
SCHEMBL8922560 0.87 HTR2A (0.38) TDP1ATMHTR2ADPP8DPP9
SCHEMBL8691061 0.87 HTR2A (0.38) TDP1ATMHTR2ADPP8DPP9
SCHEMBL8694780 0.86 TDP1 (0.37) TDP1ATMHTR2ADPP8DPP9
SCHEMBL8694735 0.85 TDP1 (0.37) TDP1ATMDPP8DPP9CTSS
SCHEMBL9390729 0.84 HTR2A (0.44) TDP1ATMHTR2ADPP8DPP9

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