SCHEMBL9905759

SCHEMBL9905759

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ PDE9A O76083 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ KMT2A Q03164 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
SCHEMBL9901421 0.87 EPHX2 (0.36) GAAKMT2A
SCHEMBL9902706 0.86 KCNQ3 (0.35) KCNQ3KCNQ2KDM4EGAAKMT2A
SCHEMBL9902803 0.86 GAA (0.41) KCNQ3KCNQ2PDE9AGRM4KDM4E
SCHEMBL9901731 0.81 KDM4E (0.35) KCNQ3KCNQ2PDE9AGRM4KDM4E
SCHEMBL17271379 0.81 KCNJ11 (0.34) KCNQ3KCNQ2
SCHEMBL16994509 0.81 KCNJ11 (0.34) KCNQ3KCNQ2
SCHEMBL9901676 0.80 TSHR (0.40) KDM4EKMT2A
SCHEMBL9902746 0.79 OPRM1 (0.37) KDM4EKMT2A
SCHEMBL9901704 0.79 EPHX2 (0.36) GAA
SCHEMBL9901787 0.79 GAA (0.43) 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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