SCHEMBL9901421

SCHEMBL9901421

CC1(C)CC(NC(=N)Nc2ccc(F)cc2)C(C)(C)N1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RECQL P46063 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL9902746 0.87 OPRM1 (0.37) EPHX2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9901704 0.87 EPHX2 (0.36) EPHX2ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL9905759 0.87 KCNQ3 (0.33) KMT2AGAA
SCHEMBL9901577 0.86 GAA (0.34) EPHX2ALDH1A1SMN1; SMN2MAPTGRIN2B
SCHEMBL9901900 0.85 EPHX2 (0.40) EPHX2ALDH1A1SMN1; SMN2SIGMAR1NPC1
SCHEMBL9901787 0.84 GAA (0.43) EPHX2ALDH1A1EPHX1KMT2AHTT
SCHEMBL9902706 0.82 KCNQ3 (0.35) KMT2AGAA
SCHEMBL9901445 0.79 EPHX2 (0.33) EPHX2ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL9903032 0.79 RECQL (0.37) EPHX2ALDH1A1SMN1; SMN2RECQLNPC1
SCHEMBL16994496 0.78 P2RX7 (0.39) EPHX2ALDH1A1SMN1; SMN2RECQLMAPT

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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