SCHEMBL11117151

SCHEMBL11117151

O=CC1OCC(Br)([N+](=O)[O-])CO1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 2/20 0.49
KCNA1 Q09470 2/20 0.49
KCNAB1 Q14722 2/20 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
SCHEMBL11119335 0.79 KCNA4 (0.47) KCNA4KCNA1KCNAB1
SCHEMBL10863636 0.76 KCNA4 (0.49) KCNA4KCNA1KCNAB1
Nibroxane SCHEMBL379346 0.75 KCNA4 (0.55) KCNA4KCNA1KCNAB1
SCHEMBL11677295 0.71 KCNA4 (0.50) KCNA4KCNA1KCNAB1
SCHEMBL11676480 0.71 KCNA4 (0.50) KCNA4KCNA1KCNAB1
SCHEMBL28752635 0.68 KCNA4 (0.45) KCNA4KCNA1KCNAB1
SCHEMBL97282 0.67 KCNA4 (0.56) KCNA4KCNA1KCNAB1
SCHEMBL10447506 0.64 KCNA4 (1.00) KCNA4KCNA1KCNAB1
Cyclohexane SCHEMBL28752636 0.64 KCNA4 (0.52) KCNA4KCNA1KCNAB1
SCHEMBL10903521 0.64 KCNA4 (0.42) KCNA4KCNA1KCNAB1

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
EP-0127580-A2 Mixtures of quaternary polymeric ammonium salts and of a ternary surfactant system based on non ionic, anionic and amphoteric surfactants, its preparation and its use in cosmetic compositions CIBA-GEIGY AG (CH) 1984-12-05 EP disclosed