SCHEMBL9901731

SCHEMBL9901731

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNQ3 O43525 2/20 0.32
▸ KCNQ2 O43526 2/20 0.32
▸ PDE9A O76083 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 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
SCHEMBL9902803 0.92 GAA (0.41) KDM4EGAAKMT2AKCNQ3KCNQ2
SCHEMBL9903032 0.88 RECQL (0.37) KDM4EGAAKMT2A
SCHEMBL17271391 0.82 KCNJ11 (0.33) KDM4EGAAKMT2A
SCHEMBL16994487 0.82 KCNJ11 (0.33) KDM4EGAAKMT2A
SCHEMBL9905759 0.81 KCNQ3 (0.33) KDM4EGAAKMT2AKCNQ3KCNQ2
SCHEMBL9902283 0.78 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9902043 0.77 KDM4E (0.39) KDM4EGAAKMT2A
SCHEMBL9902954 0.76 ALDH1A1 (0.41) KDM4EGAAKMT2A
SCHEMBL9901736 0.75 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL16994505 0.73 KDM4E (0.37) KDM4EGAAKMT2AKCNQ3KCNQ2

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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