SCHEMBL378396

SCHEMBL378396

O=[N+]([O-])c1ccc(CCCOCCCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
KCNJ1 P48048 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
IDO1 P14902 2/20 0.52
KCNH2 Q12809 7/20 0.51
EPHX1 P07099 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL9165352 0.93 TSHR (0.55) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL8727026 0.93 TSHR (0.55) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL11308396 0.93 TSHR (0.55) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL5631593 0.90 TSHR (0.49) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL3656180 0.88 TSHR (0.62) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL18913824 0.86 TSHR (0.69) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL30758863 0.86 TSHR (0.69) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL19929796 0.85 KCNH2 (0.66) TSHRKCNJ1KCNH2EPHX1
SCHEMBL1310286 0.85 KCNH2 (0.51) TSHRKCNJ1LOXL2IDO1KCNH2
SCHEMBL6696078 0.84 KCNH2 (0.54) TSHRKCNJ1LOXL2IDO1KCNH2

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-2408741-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2012-01-25 EP disclosed
WO-2010106078-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-09-23 WO disclosed