SCHEMBL9519619

SCHEMBL9519619

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.37
RAB9A P51151 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.35
EPHX1 P07099 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
SCHEMBL10699799 0.90 TDP1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL9519200 0.90 TDP1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL8690173 0.86 HTR2A (0.38) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL8923133 0.86 HTR2A (0.38) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL10699078 0.84 TDP1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL9520226 0.84 TDP1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL9519787 0.83 ATM (0.41) TDP1ALDH1A1ATMMAPTRAB9A
Hydrochloric Acid SCHEMBL9520292 0.82 TDP1 (0.38) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL10390151 0.82 TDP1 (0.44) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL10861535 0.82 TDP1 (0.44) TDP1ALDH1A1ATMMAPTHPGD

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