SCHEMBL28051708

SCHEMBL28051708

NC1(O)C=CC=CC1C=CC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MAOB P27338 4/20 0.42
CYP1B1 Q16678 3/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 2/20 0.42
PLIN1 O60240 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
BCHE P06276 2/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 1/20 0.42
CYP3A4 P08684 4/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
RAB9A P51151 3/20 0.39
HSPD1 P10809 2/20 0.39
HSPE1 P61604 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 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
SCHEMBL5287718 0.85 MAPT (0.41) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL17318505 0.73 AKT1 (0.38) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL15058526 0.73 AKT1 (0.38) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL31471657 0.73 MAPT (0.43) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL11406085 0.73 MAPT (0.43) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL7051343 0.71 MAPT (0.39) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL3761806 0.71 MAPT (0.42) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL6938598 0.71 L3MBTL1 (0.39) MAPTRECQLCYP3A4KMT2AALDH1A1
SCHEMBL10425119 0.71 MAPT (0.45) MAPTMAOBCYP1B1LMNARECQL
SCHEMBL8617185 0.70 ESR1 (0.33) MAPTLMNARECQLKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698492-B 2-hydroxy chalcone amine compounds and application thereof 四川大学 2020-07-03 CN claimed
CN-107698492-B 2-hydroxy chalcone amine compounds and application thereof 四川大学 2020-07-03 CN disclosed
CN-107698492-B 2-hydroxy chalcone amine compounds and application thereof 四川大学 2020-07-03 CN disclosed
CN-107698492-B 2-hydroxy chalcone amine compounds and application thereof 四川大学 2020-07-03 CN disclosed
CN-105439876-A 2-hydroxy chalcone amine compound, preparation method and application thereof UNIV SICHUAN 2016-03-30 CN disclosed
CN-105439876-A 2-hydroxy chalcone amine compound, preparation method and application thereof UNIV SICHUAN 2016-03-30 CN disclosed