SCHEMBL17347337

SCHEMBL17347337

O=[N+](O)C1(Br)COCOC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.31
KCNA1 Q09470 1/20 0.31
KCNAB1 Q14722 1/20 0.31

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
SCHEMBL97282 0.75 KCNA4 (0.56) KCNA4KCNA1KCNAB1
Cyclohexane SCHEMBL28752636 0.71 KCNA4 (0.52) KCNA4KCNA1KCNAB1
SCHEMBL4787731 0.56 KCNA4 (0.41) KCNA4KCNA1KCNAB1
SCHEMBL9249868 0.56
Nitric Acid SCHEMBL10600050 0.56
SCHEMBL1869578 0.56
SCHEMBL322189 0.55
SCHEMBL4014347 0.54
SCHEMBL577018 0.54 TSHR (0.42)
Phosphoric Acid SCHEMBL28813696 0.53 EPHX1 (0.31)

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-20150364311-A1 COMPOSITIONS AND METHODS FOR MASS SPECTOMETRY MSTM, LLC 2015-12-17 US disclosed