SCHEMBL7822178

SCHEMBL7822178

C=CCOC(=O)NC(=N)SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL729016 0.78 MAPT (0.50) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL8562608 0.77 GAA (0.39) KDM4EHSD17B10SMN1; SMN2ALDH1A1GAA
SCHEMBL18621628 0.76 MAPT (0.40) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL7312659 0.76 MAPT (0.50) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL2357850 0.75 MAPT (0.44) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL11085534 0.74 SMN1; SMN2 (0.39) MEN1KMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL7167250 0.73 MAPT (0.35) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL7167253 0.73 MAPT (0.35) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL6993745 0.73 MAPT (0.43) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL27988536 0.73

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-1028962-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1028962-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-23 EP disclosed
WO-1999020628-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed