SCHEMBL8924014

SCHEMBL8924014

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
MAOB P27338 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 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
SCHEMBL8925687 0.90 EPHX1 (0.39) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8693065 0.90 EPHX1 (0.39) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL9519200 0.89 TDP1 (0.39) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL10699799 0.89 TDP1 (0.39) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL7811546 0.84 RAB9A (0.43) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8694762 0.84 HTR2A (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8694742 0.84 TDP1 (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8923969 0.84 ALDH1A1 (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8693099 0.84 ALDH1A1 (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8759638 0.83 TDP1 (0.43) ALDH1A1MAPTHPGDTDP1ATM

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