SCHEMBL9902706

SCHEMBL9902706

CC1(C)CC(NC(=N)Nc2ccc(Cl)nc2)C(C)(C)N1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 9/20 0.35
▸ KCNQ2 O43526 9/20 0.35
▸ KCNE1 P15382 6/20 0.35
▸ KCNQ1 P51787 6/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ FPR2 P25090 3/20 0.34
▸ FPR3 P25089 2/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL9905759 0.86 KCNQ3 (0.33) KCNQ3KCNQ2KDM4EGAAKMT2A
SCHEMBL9901704 0.84 EPHX2 (0.36) GAA
SCHEMBL9901779 0.83 SMARCA2 (0.39) KDM4EGAAKMT2A
SCHEMBL9901421 0.82 EPHX2 (0.36) GAAKMT2A
SCHEMBL17271388 0.81 KCNJ11 (0.34) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9901676 0.80 TSHR (0.40) KDM4EKMT2A
SCHEMBL9902746 0.79 OPRM1 (0.37) FPR2FPR3KDM4EKMT2A
SCHEMBL9901445 0.79 EPHX2 (0.33) GAAKMT2A
SCHEMBL9901787 0.79 GAA (0.43) KDM4EGAAKMT2A
SCHEMBL9901577 0.79 GAA (0.34) KDM4EGAAKMT2A

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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