SCHEMBL5261202

SCHEMBL5261202

CC(Cc1ccc([N+](=O)[O-])cc1)c1cc[n+](C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.45
KCNH2 Q12809 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 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
Iodide SCHEMBL5262196 0.98 KCNJ1 (0.44) KCNJ1KCNH2LOXL2KMT2AMEN1
Iodide SCHEMBL5262198 0.93 KCNJ1 (0.44) KCNJ1KCNH2LOXL2KMT2AMEN1
SCHEMBL7008328 0.83 KMT2A (0.55) KCNJ1KCNH2LOXL2KMT2AMEN1
SCHEMBL11024329 0.80 ESR1 (0.69) KCNJ1KCNH2LOXL2KMT2AMEN1
SCHEMBL4437809 0.80 POLB (0.58) KCNJ1KCNH2LOXL2KMT2AMEN1
SCHEMBL13294115 0.77 ALDH1A1 (0.58) LOXL2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5715396 0.75 LOXL2 (0.55) KCNJ1KCNH2LOXL2KMT2AMEN1
SCHEMBL28290869 0.72 LOXL2 (0.48) KCNJ1KCNH2LOXL2KMT2AMEN1
SCHEMBL14269722 0.72 PABPC1 (0.46) KCNH2LOXL2KMT2AMEN1ESR1
SCHEMBL2325845 0.72 LMNA (0.53) KCNJ1KCNH2LOXL2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed