SCHEMBL8690679

SCHEMBL8690679

O=C(OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1CSCCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAOB P27338 1/20 0.35
GBA1 P04062 1/20 0.35
TSHR P16473 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
SCHEMBL8697400 1.00 TDP1 (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8693068 0.90 RAB9A (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8691058 0.89 ALDH1A1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9519178 0.89 DPP8 (0.46) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9519172 0.88 RAB9A (0.40) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9519405 0.88 DPP8 (0.40) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10390103 0.86 TDP1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL6398540 0.86 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8759638 0.86 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10364355 0.86 TDP1 (0.43) 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
US-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed
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