SCHEMBL9902713

SCHEMBL9902713

CC1(C)CC(NC(=N)Nc2cccc(F)n2)C(C)(C)N1O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.33
▸ FFAR2 O15552 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KIF18A Q8NI77 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL9902470 0.86 KDM4E (0.41) GRM5FFAR2HCRTR1HCRTR2SLC6A2
SCHEMBL9902283 0.81 KDM4E (0.35) GRM5FFAR2HCRTR1HCRTR2SLC6A2
SCHEMBL16994484 0.81 GRM5 (0.32) GRM5
SCHEMBL16982326 0.81 GRM5 (0.32) GRM5
SCHEMBL9901900 0.78 EPHX2 (0.40) GAAKMT2A
SCHEMBL9905759 0.77 KCNQ3 (0.33) KDM4EGAAKMT2A
SCHEMBL9901421 0.77 EPHX2 (0.36) GAAKMT2A
SCHEMBL9901577 0.76 GAA (0.34) HCRTR1HCRTR2KDM4EGAAKMT2A
SCHEMBL9901787 0.74 GAA (0.43) CDK5KDM4EGAAKMT2A
SCHEMBL9902718 0.74 KDM4E (0.30) 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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