SCHEMBL9762640

SCHEMBL9762640

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KCNH2 Q12809 8/20 0.47
EPHX1 P07099 1/20 0.44
KCNJ1 P48048 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
IDO1 P14902 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
GSK3B P49841 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1312040 0.98 TSHR (0.47) TSHRKCNH2EPHX1KCNJ1SIRT2
SCHEMBL1310286 0.92 KCNH2 (0.51) TSHRKCNH2EPHX1KCNJ1SIRT2
SCHEMBL10346573 0.92 TSHR (0.60) TSHRKCNH2EPHX1KCNJ1SIRT2
SCHEMBL3656180 0.87 TSHR (0.62) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL9165352 0.83 TSHR (0.55) TSHRKCNH2EPHX1KCNJ1IDO1
SCHEMBL11308396 0.83 TSHR (0.55) TSHRKCNH2EPHX1KCNJ1IDO1
SCHEMBL8727026 0.83 TSHR (0.55) TSHRKCNH2EPHX1KCNJ1IDO1
SCHEMBL1312325 0.83 TSHR (0.58) TSHRKCNH2KCNJ1SIRT2IDO1
SCHEMBL378396 0.83 TSHR (0.58) TSHRKCNH2EPHX1KCNJ1IDO1
SCHEMBL7943874 0.82 KCNH2 (0.59) TSHRKCNH2KCNJ1SIRT2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed