SCHEMBL9902233

SCHEMBL9902233

CC1(C)CCC(NC(=NC#N)Nc2cccnc2F)CC(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ PDE4B Q07343 2/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL9902232 1.00 KDM4E (0.38) KDM4EGAAKMT2AGSK3AGSK3B
SCHEMBL17271395 0.93 KDM4E (0.43) KDM4EGAAKMT2AGSK3AGSK3B
SCHEMBL16994494 0.93 KDM4E (0.43) KDM4EGAAKMT2AGSK3AGSK3B
SCHEMBL17271385 0.89 KMT2A (0.40) KDM4EGAAKMT2AP2RX7
SCHEMBL17271386 0.89 KDM4E (0.38) KDM4EGAAKMT2ASSTR4P2RX7
SCHEMBL9902787 0.89 KDM4E (0.38) KDM4EGAAKMT2ASSTR4P2RX7
SCHEMBL9902885 0.89 KMT2A (0.40) KDM4EGAAKMT2AP2RX7
SCHEMBL16994501 0.86 P2RX7 (0.39) KDM4EGAAKMT2AP2RX7
SCHEMBL9901419 0.83 KDM4E (0.33) KDM4EGAAKMT2AGSK3AGSK3B
SCHEMBL16994499 0.83 KDM4E (0.33) KDM4EGAAKMT2AGSK3AGSK3B

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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