SCHEMBL9902718

SCHEMBL9902718

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL9902476 0.86 KDM4E (0.40) KDM4EGAAKMT2A
SCHEMBL9902286 0.81 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9901901 0.78 SIGMAR1 (0.36) KDM4E
SCHEMBL9905760 0.77 ADRA2A (0.33) KDM4EGAAKMT2A
SCHEMBL9901424 0.77 NOS1 (0.41) GAA
SCHEMBL9902512 0.74 SIGMAR1 (0.42) —
SCHEMBL9903487 0.74 KMT2A (0.45) KDM4EGAAKMT2A
SCHEMBL9902713 0.74 GRM5 (0.33) KDM4EGAAKMT2A
SCHEMBL9901797 0.73 HTR3E (0.41) KDM4EGAAKMT2A
SCHEMBL9901586 0.73 NOS3 (0.37) 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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