SCHEMBL9519151

SCHEMBL9519151

CC(=O)S[C@H]1C[C@@H](CNS(C)(=O)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CCR5 P51681 2/20 0.36
CYP19A1 P11511 1/20 0.36
HTT P42858 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
SCHEMBL9519080 0.88 ECE1 (0.37) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL8113812 0.88 HTT (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9519385 0.86 ALDH1A1 (0.40) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9520618 0.86 POLB (0.40) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL10861401 0.86 ALDH1A1 (0.41) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9368309 0.86 ALDH1A1 (0.41) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL10367961 0.84 GAA (0.41) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL10862981 0.84 ATM (0.41) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL10371377 0.84 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9039568 0.84 ATM (0.41) ALDH1A1ATMMAPTHPGDTDP1

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