SCHEMBL9902509

SCHEMBL9902509

CC1(C)CC(NC(=N)Nc2cccc(Br)c2)C(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL9901900 0.86 EPHX2 (0.40) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9903481 0.86 KMT2A (0.38) EGFRMEN1KMT2AALDH1A1LMNA
SCHEMBL9902365 0.85 KMT2A (0.39) GAAHCRTR1HCRTR2EGFRMEN1
SCHEMBL9902746 0.85 OPRM1 (0.37) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL9901577 0.85 GAA (0.34) GAAHCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL9901676 0.79 TSHR (0.40) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9901584 0.78 HCRTR2 (0.35) GAAHCRTR1HCRTR2MEN1KMT2A
SCHEMBL9901421 0.78 EPHX2 (0.36) GAAKMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9901445 0.78 EPHX2 (0.33) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9901787 0.78 GAA (0.43) GAAEGFRKMT2AALDH1A1KDM4E

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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