SCHEMBL7921084

SCHEMBL7921084

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NFE2L2 Q16236 4/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
AMY1A P0DUB6 1/20 0.34

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
SCHEMBL7921082 1.00 MAPT (0.46) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL7922836 0.79 GRIN2D (0.51) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL7922837 0.79 GRIN2D (0.51) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL6077684 0.72 GRIN2D (0.51) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL22925150 0.72 RAB9A (0.54) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL6077689 0.72 GRIN2D (0.51) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL8441698 0.71 NFE2L2 (0.35) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL27310975 0.69 GRIN2D (0.56) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL22925060 0.68 GRIN2D (0.51) MAPTPOLBRAB9AGRIN2DGRIN3B
SCHEMBL28099631 0.68 GRIN2D (0.47) MAPTPOLBRAB9AGRIN2DGRIN3B

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