SCHEMBL9901727

SCHEMBL9901727

N=C(Nc1cc[nH]c(=O)c1)NC1CCN(O)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 19/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ SCN8A Q9UQD0 12/20 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
SCHEMBL9902313 0.93 SCN10A (0.39) SCN10AJAK2JAK1TYK2SCN8A
SCHEMBL9901557 0.76 CTSL (0.46) —
SCHEMBL9902320 0.76 ALDH1A1 (0.39) JAK2JAK1TYK2
SCHEMBL9902968 0.74 EPHX1 (0.41) —
SCHEMBL9902487 0.70 ALDH1A1 (0.47) —
SCHEMBL9901615 0.68 ALDH1A1 (0.40) JAK2JAK1TYK2
SCHEMBL9901315 0.67 ALDH1A1 (0.50) —
SCHEMBL9902117 0.66 ALDH1A1 (0.46) —
SCHEMBL13373625 0.66 JAK2 (0.54) JAK2JAK1TYK2
SCHEMBL9903173 0.65 EPHX1 (0.47) —

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-2649048-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2013-10-16 — — EP disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 — — WO disclosed
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