SCHEMBL9518928

SCHEMBL9518928

O=C(OCc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@H]1CSc1nncs1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
GRIN2B Q13224 1/20 0.35
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL9522437 0.91 TDP1 (0.35) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL10701538 0.85 PREP (0.38) TDP1ALDH1A1MAPTHPGDGRIN2B
SCHEMBL9518858 0.85 ALDH1A1 (0.34) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9519670 0.85 ATM (0.37) TDP1ALDH1A1MAPTATMGRIN2B
SCHEMBL9519145 0.82 MAPT (0.39) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9520608 0.80 ALDH1A1 (0.40) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL10699078 0.79 TDP1 (0.39) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9519619 0.79 TDP1 (0.39) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9520226 0.79 TDP1 (0.39) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL7860417 0.78 CA2 (0.43) TDP1ALDH1A1MAPTRAB9A

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-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed