SCHEMBL6892651

SCHEMBL6892651

[N-]=[N+]=Cc1c(O)cccc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
KDM4E B2RXH2 5/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
TP53 P04637 3/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 2/20 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
SCHEMBL6892647 0.79 KDM1A (0.40) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL27757834 0.77 KDM4E (0.52) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL30161776 0.77 KDM4E (0.56) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL29466690 0.77 KDM4E (0.56) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL56776 0.77 KDM4E (0.56) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL5463849 0.75 KDM4E (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL28408631 0.75 KDM4E (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL16820308 0.75 KDM4E (0.54) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL15485572 0.75 KDM4E (0.54) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL20591288 0.75 KDM4E (0.54) KDM1AKDM4ELMNACCR1CCR5

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
US-8232074-B2 For performing high-throughput electrophysiological recordings for drug discovery CELLECTRICON AB (SE) 2012-07-31 US disclosed
US-20040182707-A1 Nanoelectrodes and nanotips for recording transmembrane currents in a plurality of cells CELLECTRICON AB 2004-09-23 US disclosed
WO-2004036202-A1 NANOELECTRODES AND NANOTIPS FOR RECORDING TRANSMEMBRANE CURRENTS IN A PLURALITY OF CELLS CELLECTRICON AB (SE) 2004-04-29 WO disclosed