SCHEMBL9901577

SCHEMBL9901577

CC1(C)CC(NC(=N)Nc2ccccc2)C(C)(C)N1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ GRIN2B Q13224 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
SCHEMBL9902746 0.86 OPRM1 (0.37) KDM4EKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9901787 0.86 GAA (0.43) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL9901704 0.86 EPHX2 (0.36) GAASMN1; SMN2L3MBTL1ALDH1A1EPHX2
SCHEMBL9901421 0.86 EPHX2 (0.36) GAAKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9901676 0.85 TSHR (0.40) KDM4EKMT2AALDH1A1EPHX2POLB
SCHEMBL9901900 0.85 EPHX2 (0.40) GAAKMT2ASMN1; SMN2ALDH1A1EPHX2
SCHEMBL9902509 0.85 GAA (0.37) GAAKDM4EKMT2ASMN1; SMN2L3MBTL1
SCHEMBL9903481 0.85 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1EPHX2TSHR
SCHEMBL9901795 0.82 P2RX7 (0.36) GAAKDM4EKMT2ASMN1; SMN2L3MBTL1
SCHEMBL9901584 0.82 HCRTR2 (0.35) GAAKDM4EKMT2ASMN1; SMN2L3MBTL1

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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