SCHEMBL29720343

SCHEMBL29720343

Nc1cc(C(F)(F)F)c(-c2ccccc2)c(C(F)(F)F)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.42
BACE1 P56817 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LDHA P00338 1/20 0.35
KIF11 P52732 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24129921 0.82 ACHE (0.44) ACHEBACE1L3MBTL1ESR1POLB
SCHEMBL24129913 0.77 ACHE (0.45) ACHEBACE1L3MBTL1ESR1POLB
SCHEMBL10215552 0.77 ACHE (0.45) ACHEBACE1ADORA3ADORA2AADORA1
SCHEMBL28527851 0.76 L3MBTL1 (0.44) ACHEBACE1L3MBTL1ESR1POLB
SCHEMBL24129924 0.76 L3MBTL1 (0.44) ACHEBACE1L3MBTL1POLBADORA2A
SCHEMBL21571496 0.75 HSD17B10 (0.42) ACHEBACE1L3MBTL1ADORA2AADORA1
SCHEMBL13385777 0.74 KIF11 (0.47) ACHEPOLBKDM4EHSD17B10KIF11
SCHEMBL26800350 0.74 L3MBTL1 (0.46) ACHEL3MBTL1ESR1POLBKDM4E
SCHEMBL28674664 0.74 KIF11 (0.46) ACHEBACE1L3MBTL1POLBADORA3
SCHEMBL8433508 0.73 KIF11 (0.41) ACHEBACE1L3MBTL1ESR1POLB

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
CN-114605776-A Modified epoxy resin and preparation method thereof 中国航空制造技术研究院 2022-06-10 CN claimed
CN-114605776-A Modified epoxy resin and preparation method thereof 中国航空制造技术研究院 2022-06-10 CN disclosed