SCHEMBL9168744

SCHEMBL9168744

C1CNCCNCCCNCCNC1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB1 P08588 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30

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
SCHEMBL8505448 0.83 HIF1A (0.46) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL8904167 0.83 HIF1A (0.46) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
Piperazine SCHEMBL28852777 0.83 HIF1A (0.46) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
Hydrochloric Acid SCHEMBL7863747 0.75 CXCR4 (0.82) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL9947670 0.75 CXCR4 (1.00) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL577659 0.75 CXCR4 (1.00) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
Sulfuric Acid SCHEMBL7862755 0.75 CXCR4 (0.56) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL8503965 0.75 CXCR4 (1.00) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL33477 0.75 CXCR4 (1.00) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
Piperazine SCHEMBL3769649 0.75 CXCR4 (1.00) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT

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
EP-0558644-B1 METHODS FOR THE PREPARATION OF MOLECULAR SIEVES, INCLUDING ZEOLITES, USING METAL CHELATE COMPLEXES UNIV TEXAS (US) 1995-04-19 EP disclosed
US-5167942-A Incorporation of chelate compound prior to crystallization BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-12-01 US disclosed