SCHEMBL6131334

SCHEMBL6131334

[O-][n+]1ccccc1-c1ncccc1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
BLM P54132 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
IDO1 P14902 2/20 0.36
TP53 P04637 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALOX15 P16050 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 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
SCHEMBL1367753 0.81 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30305663 0.81 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
Methoxymethane SCHEMBL4134582 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30031 0.75 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5695302 0.74 KDM4E (0.60) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL932365 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15436287 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3924522 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL933820 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL78140 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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-20050085656-A1 Water resistant catalyst for the production of diaryl carbonates via the direct carbonylation of phenolic compounds GENERAL ELECTRIC COMPANY 2005-04-21 US disclosed
WO-2001086591-A2 HIGH THROUGHPUT SCREENING METHOD AND SYSTEM GENERAL ELECTRIC COMPANY (US) 2001-11-15 WO disclosed