SCHEMBL9902748

SCHEMBL9902748

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ NOS1 P29475 2/20 0.41
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ SLC22A3 O75751 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ TSHR P16473 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FPR2 P25090 2/20 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
SCHEMBL9901424 0.87 NOS1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9901710 0.87 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902512 0.86 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9903262 0.84 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9901586 0.80 NOS3 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902710 0.80 ADRA2A (0.45) GAAFPR2
SCHEMBL9905760 0.80 ADRA2A (0.33) GAA
SCHEMBL9901448 0.80 HTR3E (0.38) SIGMAR1GAAL3MBTL1
SCHEMBL9901901 0.78 SIGMAR1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9903487 0.78 KMT2A (0.45) SIGMAR1NOS1SLC22A2SLC22A1SLC22A3

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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