SCHEMBL4299924

SCHEMBL4299924

C1CNCCNCCNCCNCCNCCNCCNCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 1.00
MAPT P10636 1/20 1.00
PDE4A P27815 1/20 1.00
KDR P35968 1/20 1.00
CXCR4 P61073 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL577429 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL8199316 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL22003 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL7052601 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL5033222 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL2373879 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL734764 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL3999265 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL576335 1.00 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL8010246 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8292092-B2 Macrocyclic pore-apertured carbon nanotube apparatus TELEDYNE SCIENTIFIC & IMAGING, LLC (US) 2012-10-23 US disclosed
US-20110056892-A1 MACROCYCLIC PORE-APERTURED CARBON NANOTUBE APPARATUS TELEDYNE SCIENTIFIC & IMAGING, LLC (US) 2011-03-10 US disclosed
US-20090305375-A1 SUSTAINABLE SUPPLY OF BIOACTIVE MARINE PRODUCTS KERR RUSSELL G 2009-12-10 US disclosed
EP-1896604-A2 SUSTAINABLE SUPPLY OF BIOACTIVE MARINE PRODUCTS FLORIDA ATLANTIC UNIVERSITY (US) 2008-03-12 EP disclosed
WO-2007037791-A2 SUSTAINABLE SUPPLY OF BIOACTIVE MARINE PRODUCTS FLORIDA ATLANTIC UNIVERSITY (US) 2007-04-05 WO disclosed