SCHEMBL9519248

SCHEMBL9519248

NC(=O)CSC[C@@H]1C[C@H](SC(=O)c2ccccc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ECE1 P42892 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
BCHE P06276 1/20 0.35
CCR5 P51681 2/20 0.35
HTT P42858 2/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL9519252 0.90 ATM (0.38) ATMTDP1RAB9ANPC1ECE1
SCHEMBL9521116 0.88 ATM (0.40) ATMTDP1RAB9ANPC1ECE1
SCHEMBL8759542 0.88 ATM (0.44) ATMTDP1RAB9ANPC1ECE1
SCHEMBL8758724 0.88 ATM (0.44) ATMTDP1RAB9ANPC1ECE1
SCHEMBL9521056 0.87 DPP8 (0.41) ATMTDP1RAB9ANPC1ECE1
SCHEMBL9519787 0.86 ATM (0.41) ATMTDP1RAB9ANPC1ECE1
SCHEMBL9520047 0.84 ATM (0.39) ATMTDP1RAB9ANPC1ECE1
SCHEMBL9519209 0.84 HTT (0.40) ATMTDP1RAB9ANPC1ECE1
SCHEMBL6945381 0.83 ATM (0.45) ATMTDP1RAB9ANPC1CCR5
SCHEMBL9519172 0.83 RAB9A (0.40) ATMTDP1RAB9ANPC1

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