Pyrazine

Pyrazine

SCHEMBL9840102

CC(=O)OCc1ccco1.c1cnccn1

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.84
TDP1 Q9NUW8 4/20 0.57
MAPK1 P28482 2/20 0.57
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 3/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
RAB9A P51151 1/20 0.40
MGLL Q99685 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL190434 0.92 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1USP2LMNA
SCHEMBL28249467 0.79 ALDH1A1 (0.74) ALDH1A1TDP1MAPK1USP2LMNA
SCHEMBL14991432 0.77 ALDH1A1 (0.72) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL6443447 0.75 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL6443452 0.75 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL11683444 0.75 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL11583754 0.75 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL36525 0.75 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL11784291 0.75 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1USP2HTT
SCHEMBL2266382 0.75 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1USP2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985271-A Process for treating coffee beans to make a better-tasting coffee THE PROCTER & GAMBLE COMPANY (US) 1991-01-15 US disclosed
US-4857351-A PARTIAL ROASTING THEN SOAKING IN BASE OR COFFEE SOLIDS THE PROCTER & GAMBLE COMPANY (US) 1989-08-15 US disclosed