SCHEMBL9519670

SCHEMBL9519670

O=C(S[C@H]1C[C@@H](CSc2nncs2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34
ECE1 P42892 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
BCHE P06276 1/20 0.33
CCR5 P51681 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL9522437 0.85 TDP1 (0.35) ATMTDP1GRIN2BALDH1A1LMNA
SCHEMBL9518928 0.85 TDP1 (0.35) ATMTDP1GRIN2BALDH1A1LMNA
SCHEMBL9520047 0.84 ATM (0.39) ATMTDP1GRIN2BALDH1A1MAPT
SCHEMBL8759542 0.83 ATM (0.44) ATMTDP1ALDH1A1MAPTHTT
SCHEMBL8758724 0.83 ATM (0.44) ATMTDP1ALDH1A1MAPTHTT
SCHEMBL9520681 0.83 ATM (0.39) ATMTDP1ALDH1A1HTTCCR5
SCHEMBL9519787 0.82 ATM (0.41) ATMTDP1ALDH1A1MAPTHTT
SCHEMBL9519248 0.82 ATM (0.41) ATMTDP1HTTECE1RAB9A
SCHEMBL9521116 0.80 ATM (0.40) ATMTDP1ALDH1A1MAPTHTT
SCHEMBL9519209 0.80 HTT (0.40) ATMTDP1ALDH1A1LMNAMAPT

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