SCHEMBL28601356

SCHEMBL28601356

CC(C)(C)c1cccc(C=Nc2ccccc2N)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 3/20 0.59
▸ ALDH1A1 P00352 9/20 0.48
▸ MAPT P10636 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ POLB P06746 4/20 0.48
▸ MPI P34949 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CA2 P00918 2/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ GAA P10253 3/20 0.39

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
SCHEMBL30139904 0.90 ALOX12 (0.68) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL3665612 0.83 ALOX12 (0.59) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL17152747 0.82 ALOX5 (0.52) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL27806533 0.82 ALOX5 (0.52) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL29850475 0.82 ALOX5 (0.52) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL29099460 0.81 ALDH1A1 (0.63) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL28995081 0.80 POLB (0.67) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL28295925 0.80 ALOX5 (0.50) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL29099477 0.80 ALDH1A1 (0.48) ALOX12ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL12611431 0.80 ALOX12 (0.72) ALOX12ALDH1A1MAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105511-A Method for generating hydroxyl free radicals by using Schiff base cobalt complex 南开大学 2021-07-13 — — CN claimed
CN-115518689-B Catalyst for preparing glycol by epoxy alkane hydration and preparation method and application thereof 中国石油化工股份有限公司 2023-10-31 — — CN disclosed
CN-113105511-A Method for generating hydroxyl free radicals by using Schiff base cobalt complex 南开大学 2021-07-13 — — CN disclosed
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