SCHEMBL9902255

SCHEMBL9902255

CC1(C)CC(NC(N)=Nc2cccnc2Cl)CC(C)(C)N1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MPI P34949 1/20 0.33
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ SSTR4 P31391 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL9905737 0.86 KDM4E (0.47) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902519 0.76 KDM4E (0.39) KDM4EGAAKMT2AALDH1A1ALOX15
SCHEMBL9902251 0.73 KMT2A (0.51) KDM4EGAAKMT2AALDH1A1
SCHEMBL9902957 0.71 KDM4E (0.37) KDM4EGAAKMT2AALOX15
SCHEMBL9902476 0.71 KDM4E (0.40) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902809 0.71 KDM4E (0.40) KDM4EGAAKMT2ACA1CA2
SCHEMBL9903262 0.70 GRIN2D (0.44) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902370 0.70 SIGMAR1 (0.44) KDM4EGAAKMT2ACA1CA2
SCHEMBL9901797 0.69 HTR3E (0.41) KDM4EGAAKMT2ACA1CA2
SCHEMBL9901736 0.65 KDM4E (0.35) 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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