SCHEMBL9903262

SCHEMBL9903262

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 3/20 0.44
▸ GRIN3B O60391 3/20 0.44
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2A Q12879 3/20 0.44
▸ GRIN2B Q13224 3/20 0.44
▸ GRIN2C Q14957 3/20 0.44
▸ GRIN3A Q8TCU5 3/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ NOS1 P29475 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SLC22A2 O15244 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ SLC22A3 O75751 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.33
▸ FPR2 P25090 5/20 0.33
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 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
SCHEMBL9902370 0.86 SIGMAR1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902748 0.84 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902809 0.79 KDM4E (0.40) KDM4EGAAKMT2ACA1CA2
SCHEMBL9903038 0.79 NOS1 (0.38) SIGMAR1NOS1KDM4EGAASLC22A2
SCHEMBL9901736 0.72 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9903261 0.71 KDM4E (0.42) KDM4EGAAKMT2AFPR2CA1
SCHEMBL9901710 0.71 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9901424 0.71 NOS1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902512 0.71 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902476 0.71 KDM4E (0.40) KDM4EGAAKMT2ACA1CA2

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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