SCHEMBL9520636

SCHEMBL9520636

CN(C)CCn1nnnc1SC[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
CCR5 P51681 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL9520239 0.92 UBE2M (0.42) UBE2MDCUN1D1CCR5MEN1KMT2A
SCHEMBL9520608 0.89 ALDH1A1 (0.40) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL9519114 0.87 UBE2M (0.39) UBE2MDCUN1D1CCR5MEN1KMT2A
SCHEMBL9520722 0.86 UBE2M (0.40) UBE2MDCUN1D1CCR5MEN1KMT2A
SCHEMBL9521103 0.80 ALDH1A1 (0.40) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL9522363 0.79 CACNA1C (0.35) UBE2MDCUN1D1CCR5TDP1L3MBTL1
SCHEMBL9519145 0.77 MAPT (0.39) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL9518928 0.76 TDP1 (0.35) HTTALDH1A1POLBMAPTATM
SCHEMBL9519450 0.75 ALDH1A1 (0.36) CCR5MEN1KMT2AHTTALDH1A1
SCHEMBL9520681 0.75 ATM (0.39) CCR5MEN1KMT2AHTTALDH1A1

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