SCHEMBL7811546

SCHEMBL7811546

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 2/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
HTR2A P28223 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL8759638 0.90 TDP1 (0.43) RAB9ATDP1IDO1ATMALDH1A1
SCHEMBL10364355 0.90 TDP1 (0.43) RAB9ATDP1IDO1ATMALDH1A1
SCHEMBL6398540 0.90 TDP1 (0.43) RAB9ATDP1IDO1ATMALDH1A1
SCHEMBL10370030 0.89 RAB9A (0.42) RAB9ATDP1IDO1ATMALDH1A1
SCHEMBL10370916 0.88 RAB9A (0.42) RAB9ATDP1IDO1ATMALDH1A1
SCHEMBL10390103 0.88 TDP1 (0.42) RAB9ATDP1IDO1ATMALDH1A1
SCHEMBL10390568 0.87 TDP1 (0.41) RAB9ATDP1IDO1ATMALDH1A1
SCHEMBL10363296 0.86 MAOB (0.42) RAB9ATDP1ATMALDH1A1MAPT
SCHEMBL6399453 0.86 TDP1 (0.50) RAB9ATDP1ATMALDH1A1MAPT
SCHEMBL9794972 0.85 TDP1 (0.39) RAB9ATDP1ATMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528678-B1 A pyrrolidylthiocarbapenem derivative with antibacterial activity SHIONOGI & CO (JP) 2001-05-23 EP disclosed
US-5703243-A Intermediates for pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed
EP-0528678-A1 A pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed