SCHEMBL9519207

SCHEMBL9519207

CS(=O)(=O)NCCOC[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CCR5 P51681 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL9522357 0.89 CYP19A1 (0.36) CYP19A1ALDH1A1MAPTHPGDMAOB
SCHEMBL9519080 0.88 ECE1 (0.37) CYP19A1ALDH1A1MAPTHPGDMAOB
SCHEMBL9519385 0.87 ALDH1A1 (0.40) CYP19A1ALDH1A1MAPTHPGDMAOB
SCHEMBL9520697 0.86 DPP8 (0.46) ALDH1A1MAPTHPGDTDP1DPP8
SCHEMBL9519631 0.86 DPP8 (0.40) ALDH1A1MAPTHPGDTDP1DPP8
SCHEMBL9518914 0.85 TDP1 (0.40) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL9794972 0.84 TDP1 (0.39) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL9795070 0.84 ABCG2 (0.41) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL9519874 0.83 RAB9A (0.39) ALDH1A1MAPTHPGDTDP1DPP8
SCHEMBL9794979 0.82 ALDH1A1 (0.38) ALDH1A1MAPTHPGDMAOBTDP1

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