SCHEMBL10364355

SCHEMBL10364355

O=C(OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)CC1CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
MAOB P27338 1/20 0.40
GBA1 P04062 1/20 0.40
IDO1 P14902 1/20 0.40
AKR1C3 P42330 1/20 0.39
HTT P42858 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
SCHEMBL6398540 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8759638 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10390103 0.91 TDP1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10390568 0.90 TDP1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL7811546 0.90 RAB9A (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10370030 0.88 RAB9A (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9366831 0.87 SPHK1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9518914 0.87 TDP1 (0.40) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10370916 0.87 RAB9A (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10363296 0.87 MAOB (0.42) TDP1ATMALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186525-B1 CARBAPENEM COMPOUNDS, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-04-04 EP disclosed
US-4740507-A Carbapenem compounds and use SANKYO COMPANY LIMITED (JP) 1988-04-26 US disclosed
EP-0186525-A1 Carbapenem compounds, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-02 EP disclosed