SCHEMBL9901736

SCHEMBL9901736

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRA2A P08913 3/20 0.32
▸ ADRA2B P18089 3/20 0.32
▸ ADRA2C P18825 3/20 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
SCHEMBL9902809 0.92 KDM4E (0.40) KDM4EGAAKMT2AADRA2AADRA2B
SCHEMBL9903038 0.85 NOS1 (0.38) KDM4EGAAKMT2A
SCHEMBL9905760 0.81 ADRA2A (0.33) KDM4EGAAKMT2AADRA2AADRA2B
SCHEMBL9902286 0.79 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9902957 0.77 KDM4E (0.37) KDM4EGAAKMT2A
SCHEMBL9901731 0.75 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL16994487 0.73 KCNJ11 (0.33) KDM4EGAAKMT2A
SCHEMBL17271391 0.73 KCNJ11 (0.33) KDM4EGAAKMT2A
SCHEMBL9902519 0.73 KDM4E (0.39) KDM4EGAAKMT2A
SCHEMBL9902558 0.72 KDM4E (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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