SCHEMBL8904167

SCHEMBL8904167

C1CNCCNCCNCCNCCN1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mn]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
PDE4A P27815 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR4 P61073 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB1 P08588 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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 0.92 HIF1A (0.46) HIF1AMAPTPDE4AKDRMEN1
Piperazine SCHEMBL28852777 0.92 HIF1A (0.46) HIF1AMAPTPDE4AKDRMEN1
SCHEMBL9168744 0.83 CXCR4 (0.56) HIF1AMAPTPDE4AKDRMEN1
Piperazine SCHEMBL14238338 0.81 MAPT (0.43) HIF1AMAPTPDE4AKDRMEN1
Piperazine SCHEMBL5875381 0.81 CA5A (0.57) HIF1AMAPTPDE4AKDRMEN1
Piperazine SCHEMBL28308117 0.81 HIF1A (0.43) HIF1AMAPTPDE4AKDRMEN1
Piperazine SCHEMBL28197089 0.81 MAPT (0.43) HIF1AMAPTPDE4AKDRMEN1
Nitric Acid SCHEMBL11794277 0.81 CA5A (0.57) HIF1AMAPTPDE4AKDRMEN1
Piperazine SCHEMBL14695887 0.81 CA5A (0.57) HIF1AMAPTPDE4AKDRMEN1
SCHEMBL28166515 0.78 MEN1 (0.67) HIF1AMEN1KMT2ACA5ACA5B

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-5637578-A AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION MONSANTO COMPANY 1997-06-10 US disclosed
US-5610293-A TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION MONSANTO COMPANY (US) 1997-03-11 US disclosed