SCHEMBL4258749

SCHEMBL4258749

NC1=NC([AsH]O)Cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 14/20 0.57
NOS2 P35228 11/20 0.57
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.34
CYP19A1 P11511 1/20 0.34

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 SCHEMBL8098294 0.75 NOS3 (0.96) NOS3NOS2TSHR
SCHEMBL8060964 0.73 NOS3 (1.00) NOS3NOS2TSHR
SCHEMBL1341374 0.72 NOS3 (0.57) NOS3NOS2TSHRHTR2A
SCHEMBL8057421 0.71 NOS3 (1.00) NOS3NOS2TSHR
SCHEMBL251337 0.70 NOS3 (1.00) NOS3NOS2
Hydrochloric Acid SCHEMBL8105225 0.70 NOS3 (0.96) NOS3NOS2TSHR
SCHEMBL8056685 0.70 NOS3 (0.79) NOS3NOS2CYP19A1
Hydrochloric Acid SCHEMBL8097464 0.69 NOS3 (0.97) NOS3NOS2TSHR
SCHEMBL8057626 0.69 NOS3 (1.00) NOS3NOS2TSHR
Hydrochloric Acid SCHEMBL8098147 0.69 NOS3 (0.77) NOS3NOS2CYP19A1

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
WO-2009058287-A1 PROCESS OF PURIFICATION OF AMIDOXIME CONTAINING CLEANING SOLUTIONS AND THEIR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed