SCHEMBL9902283

SCHEMBL9902283

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CACNA1B Q00975 2/20 0.31
▸ APBA1 Q02410 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL9902470 0.92 KDM4E (0.41) KDM4EGAAKMT2ASLC6A2SLC6A4
SCHEMBL9902556 0.87 GAA (0.38) KDM4EGAAKMT2AGRM5ALDH1A1
SCHEMBL16994486 0.82 KDM4E (0.32) KDM4EGAAKMT2ASLC6A2SLC6A4
SCHEMBL9902713 0.81 GRM5 (0.33) KDM4EGAAKMT2ASLC6A2SLC6A4
SCHEMBL9902954 0.79 ALDH1A1 (0.41) KDM4EGAAKMT2AALDH1A1
SCHEMBL9903032 0.78 RECQL (0.37) KDM4EGAAKMT2AALDH1A1
SCHEMBL9901731 0.78 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9902286 0.75 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9902516 0.74 GAA (0.40) KDM4EGAAKMT2AALDH1A1
SCHEMBL16994520 0.73 KDM4E (0.37) KDM4EGAAKMT2ASLC6A2SLC6A4

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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