SCHEMBL7922837

SCHEMBL7922837

CC(C)(C)N=Cc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
NFE2L2 Q16236 4/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37

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
SCHEMBL7922836 1.00 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14479288 0.83 RAB9A (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27310975 0.82 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2274534 0.81 CASP1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2274536 0.81 CASP1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30977631 0.79 ALDH1A1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7921084 0.79 MAPT (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7921082 0.79 MAPT (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22925150 0.77 RAB9A (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28099631 0.77 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP disclosed