SCHEMBL9901538

SCHEMBL9901538

CC1(C)CC(N/C(=N/C#N)Nc2cccnc2Br)CC(C)(C)N1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ P2RX7 Q99572 1/20 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
SCHEMBL9901542 1.00 KDM4E (0.43) KDM4EGAAKMT2AP2RX7
SCHEMBL17271386 0.93 KDM4E (0.38) KDM4EGAAKMT2AP2RX7
SCHEMBL9902787 0.93 KDM4E (0.38) KDM4EGAAKMT2AP2RX7
SCHEMBL9901884 0.88 KDM4E (0.33) KDM4EGAAKMT2AP2RX7
SCHEMBL9901886 0.88 KDM4E (0.33) KDM4EGAAKMT2AP2RX7
SCHEMBL16994494 0.88 KDM4E (0.43) KDM4EGAAKMT2AP2RX7
SCHEMBL17271395 0.88 KDM4E (0.43) KDM4EGAAKMT2AP2RX7
SCHEMBL9902913 0.85 KDM4E (0.39) KDM4EGAAKMT2AP2RX7
SCHEMBL16994492 0.82 KDM4E (0.51) KDM4EGAAKMT2A
SCHEMBL9902232 0.81 KDM4E (0.38) KDM4EGAAKMT2AP2RX7

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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