SCHEMBL9519172

SCHEMBL9519172

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
IDO1 P14902 2/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 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
CACNA1C Q13936 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36

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
SCHEMBL8693068 0.92 RAB9A (0.41) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8926061 0.91 ALDH1A1 (0.38) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8691214 0.91 ALDH1A1 (0.38) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL10699078 0.90 TDP1 (0.39) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL9520226 0.90 TDP1 (0.39) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8691211 0.90 ALDH1A1 (0.37) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8926056 0.90 ALDH1A1 (0.37) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8691481 0.88 HPGD (0.37) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8690679 0.88 TDP1 (0.39) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL8697400 0.88 TDP1 (0.39) RAB9ANPC1TDP1ALDH1A1MAPT

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