SCHEMBL9903243

SCHEMBL9903243

CC1(C)CC(NC(=N)Nc2ccncc2)CC(C)(C)N1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 2/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ SRPK1 Q96SB4 1/20 0.36
▸ MDM2 Q00987 1/20 0.34
▸ PRKCD Q05655 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ FRK P42685 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ NEK4 P51957 1/20 0.33

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
SCHEMBL9901787 0.84 GAA (0.43) KDM4EGAAKMT2AALDH1A1ALOX15
SCHEMBL9903261 0.83 KDM4E (0.42) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902803 0.78 GAA (0.41) KDM4EGAAKMT2AALDH1A1CA1
SCHEMBL16994518 0.77 KDM4E (0.51) KDM4EGAAKMT2AALDH1A1ALOX15
SCHEMBL9902365 0.76 KMT2A (0.39) KDM4EGAAKMT2AALDH1A1CA1
SCHEMBL9903032 0.76 RECQL (0.37) KDM4EGAAKMT2AALDH1A1EPHX1
SCHEMBL9903173 0.75 EPHX1 (0.47) KDM4EALDH1A1EPHX1EPHX2MDM2
SCHEMBL9902043 0.75 KDM4E (0.39) KDM4EGAAKMT2A
SCHEMBL9902251 0.75 KMT2A (0.51) KDM4EGAAKMT2AALDH1A1L3MBTL1
SCHEMBL9905735 0.75 KDM4E (0.48) KDM4EGAAKMT2AALDH1A1ALOX15

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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