SCHEMBL9569904

SCHEMBL9569904

NC(O)[C@@H]1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42
CCR5 P51681 2/20 0.40
RAB9A P51151 1/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8107574 0.88 CCR5 (0.42) TDP1ATMCCR5
SCHEMBL8112388 0.87 CCR5 (0.39) TDP1ATMCCR5RAB9ADPP8
SCHEMBL9519179 0.86 TDP1 (0.42) TDP1ATMCCR5RAB9A
SCHEMBL7805572 0.86 TDP1 (0.42) TDP1ATMCCR5RAB9AALDH1A1
SCHEMBL10706956 0.86 TDP1 (0.42) TDP1ATMCCR5RAB9A
SCHEMBL9521184 0.86 TDP1 (0.42) TDP1ATMCCR5RAB9A
SCHEMBL8781804 0.85 TDP1 (0.42) TDP1ATMCCR5RAB9AALDH1A1
SCHEMBL9138797 0.85 TDP1 (0.42) TDP1ATMCCR5RAB9AALDH1A1
SCHEMBL7860693 0.85 TDP1 (0.43) TDP1ATMCCR5RAB9AALDH1A1
SCHEMBL7805543 0.85 TDP1 (0.43) TDP1ATMCCR5RAB9AALDH1A1

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
EP-0521524-A1 Aminooxypyrrolidinylthiocarbapenem compounds SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-01-07 EP disclosed