SCHEMBL2953111

SCHEMBL2953111

O=[N+]([O-])c1ccc(CC2CNCCCNCCNCCCN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.44
KCNH2 Q12809 2/20 0.44
TBXA2R P21731 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ADRB1 P08588 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
TRPA1 O75762 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3048660 0.93 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL5864571 0.93 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL26091219 0.93 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL8140360 0.93 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL9756598 0.93 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
SCHEMBL26091221 0.93 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1
Hydrochloric Acid SCHEMBL5013954 0.92 KCNJ1 (0.46) KCNJ1KCNH2TBXA2RHRH3ADRB1
Hydrochloric Acid SCHEMBL5013957 0.92 KCNJ1 (0.46) KCNJ1KCNH2TBXA2RHRH3ADRB1
Acetic Acid SCHEMBL21489543 0.86 TBXA2R (0.42) KCNJ1KCNH2TBXA2RHRH3KMT2A
SCHEMBL9339492 0.85 KCNJ1 (0.47) KCNJ1KCNH2TBXA2RHRH3ADRB1

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-7754765-B2 Copper chelators for treating ocular inflammation Radical Vision Therapeutics Inc (CA) 2010-07-13 US disclosed
US-20030232799-A1 Copper chelators for treating ocular Inflammation LI, NING, DR. (CN) 2003-12-18 US disclosed
EP-1370254-A2 COPPER CHELATORS FOR TREATING OCULAR INFLAMMATION The University of British Columbia (CA) 2003-12-17 EP disclosed
US-20030055113-A1 Copper chelators for treating ocular inflammation UNIVERSITY OF BRITISH COLUMBIA, THE (CA) 2003-03-20 US disclosed
WO-2002043722-A2 COPPER CHELATORS FOR TREATING OCULAR INFLAMMATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2002-06-06 WO disclosed