SCHEMBL11323532

SCHEMBL11323532

COc1cc(OC)c(S(=O)(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL11234864 0.87 MAPT (0.41) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11237924 0.86 GAA (0.45) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL7521818 0.83 GAA (0.45) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11744939 0.81 ALDH1A1 (0.51) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11744950 0.81 ALDH1A1 (0.51) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL9774295 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL6370055 0.80 ALDH1A1 (0.57) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL10778005 0.78 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL2087809 0.78 ALDH1A1 (0.63) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL10778338 0.78 ALDH1A1 (0.62) ALDH1A1TDP1MAPTCYP3A4KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255509-A NAPHTHYL-AZO-PHENYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1981-03-10 — — US disclosed
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