SCHEMBL7922778

SCHEMBL7922778

CC(C)(C)[N+]([O-])=Cc1cc(F)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.42
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 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
SCHEMBL7923573 0.86 NFE2L2 (0.42) NFE2L2ATMTDP1
SCHEMBL7921446 0.79 ALDH1A1 (0.36) ALDH1A1MAPTNPC1ALOX15TSHR
SCHEMBL7920975 0.78 ALDH1A1 (0.43) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL15216528 0.78 NFE2L2 (0.45) NFE2L2ALDH1A1MAPTNPC1
SCHEMBL7921428 0.78 NFE2L2 (0.45) NFE2L2ALDH1A1MAPTNPC1
SCHEMBL7922797 0.77 HTR2A (0.39) NFE2L2ALDH1A1FBP1
SCHEMBL15216500 0.73 ALDH1A1 (0.48) NFE2L2TDP1ALDH1A1MAPTNPC1
SCHEMBL7926738 0.73 ALDH1A1 (0.48) NFE2L2TDP1ALDH1A1MAPTNPC1
SCHEMBL7923509 0.73 NFE2L2 (0.43) NFE2L2TDP1ALDH1A1MAPTNPC1
SCHEMBL15216498 0.73 NFE2L2 (0.43) NFE2L2TDP1ALDH1A1MAPTNPC1

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