SCHEMBL9519200

SCHEMBL9519200

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

nearest known ligand 0.39

Predicted protein targets (top 14)

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
HTR2A P28223 1/20 0.37
RAB9A P51151 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NPC1 O15118 1/20 0.36
MAOB P27338 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 1.00 TDP1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL9519619 0.90 TDP1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL8924014 0.89 HTR2A (0.41) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL8693065 0.87 EPHX1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL8925687 0.87 EPHX1 (0.39) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL8759638 0.84 TDP1 (0.43) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL10364355 0.84 TDP1 (0.43) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL6398540 0.84 TDP1 (0.43) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL9519172 0.84 RAB9A (0.40) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL8697400 0.84 TDP1 (0.39) 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 3 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