SCHEMBL9901445

SCHEMBL9901445

CC1(C)CC(NC(=N)Nc2cc(Cl)cc(Cl)c2)C(C)(C)N1O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ GRM4 Q14833 5/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL9903481 0.88 KMT2A (0.38) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL9901704 0.87 EPHX2 (0.36) EPHX2POLBMAPTNPSR1L3MBTL1
SCHEMBL9901577 0.81 GAA (0.34) EPHX2KMT2APOLBMAPTL3MBTL1
SCHEMBL9901779 0.81 SMARCA2 (0.39) KMT2AGAA
SCHEMBL9901795 0.80 P2RX7 (0.36) EPHX2KMT2AMEN1L3MBTL1GAA
SCHEMBL9902706 0.79 KCNQ3 (0.35) KMT2AGAA
SCHEMBL9901421 0.79 EPHX2 (0.36) EPHX2KMT2AMAPTL3MBTL1GAA
SCHEMBL9902746 0.79 OPRM1 (0.37) EPHX2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL9901787 0.79 GAA (0.43) EPHX2KMT2AL3MBTL1GAAALDH1A1
SCHEMBL17271383 0.78 GRM4 (0.32) GRM4

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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