SCHEMBL9520239

SCHEMBL9520239

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
CCR5 P51681 3/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 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

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
SCHEMBL9520636 0.92 UBE2M (0.42) UBE2MDCUN1D1CCR5KMT2AMEN1
SCHEMBL9521103 0.89 ALDH1A1 (0.40) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL9519114 0.87 UBE2M (0.39) UBE2MDCUN1D1CCR5KMT2AMEN1
SCHEMBL9520722 0.86 UBE2M (0.40) UBE2MDCUN1D1CCR5KMT2AMEN1
SCHEMBL9520608 0.80 ALDH1A1 (0.40) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL9522363 0.79 CACNA1C (0.35) UBE2MDCUN1D1CCR5TDP1
SCHEMBL9795070 0.77 ABCG2 (0.41) CCR5HTTALDH1A1MAPTATM
SCHEMBL9519437 0.77 MAPT (0.39) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7852631 0.77 TDP1 (0.45) CCR5ALDH1A1MAPTATMHPGD
SCHEMBL9522437 0.76 TDP1 (0.35) HTTALDH1A1MAPTPOLBATM

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