SCHEMBL23514965

SCHEMBL23514965

Nc1cc(C(c2ccc(Nc3ccccc3)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1Nc1c#cccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.56
MAPT P10636 8/20 0.56
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
GFER P55789 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.34
TDP1 Q9NUW8 2/20 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
SCHEMBL29540467 0.85 GAA (0.77) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL29708495 0.85 GAA (0.77) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL376200 0.85 GAA (0.77) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL23057879 0.79 GAA (0.67) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL10068514 0.78 GAA (0.65) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL25533949 0.77 GAA (0.63) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9575352 0.74 GAA (0.59) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL25535335 0.74 GAA (0.59) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL28285293 0.72 MAPT (0.72) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL25533205 0.72 GAA (0.72) GAAMAPTALDH1A1KDM4EMEN1

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-20230183467-A1 Polymer and Elastomer Compositions Having Carbon Nanostructure Additives and Articles Formed Therefrom for Use in EMI and RFI Shielding and in Pressure Sensing Seals Having Quantum Tunneling Composite Effects GREENE, TWEED TECHNOLOGIES, INC. 2023-06-15 US disclosed
US-20210179804-A1 Fluorine-Containing Elastomer Compositions Including Microdiamond GREENE, TWEED TECHNOLOGIES, INC. 2021-06-17 US disclosed