SCHEMBL9519405

SCHEMBL9519405

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1C Q13936 1/20 0.36
ATM Q13315 1/20 0.35
HPGD P15428 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
SCHEMBL9519178 0.92 DPP8 (0.46) DPP8DPP9TDP1ALDH1A1GAA
SCHEMBL9518985 0.91 DPP8 (0.40) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL8689894 0.91 DPP8 (0.35) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL8693068 0.90 RAB9A (0.41) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL8694755 0.88 DPP8 (0.36) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL8690679 0.88 TDP1 (0.39) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL9519172 0.88 RAB9A (0.40) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL8697400 0.88 TDP1 (0.39) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8691058 0.87 ALDH1A1 (0.38) DPP8DPP9TDP1ALDH1A1GAA
SCHEMBL9519631 0.85 DPP8 (0.40) DPP8DPP9RAB9ANPC1TDP1

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 3 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