SCHEMBL25533205

SCHEMBL25533205

CC(c1ccc(Nc2ccccc2)c(N)c1)(c1ccc(Nc2ccccc2)c(N)c1)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.72
MAPT P10636 12/20 0.72
KDM4E B2RXH2 10/20 0.72
ALDH1A1 P00352 9/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
GFER P55789 4/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
THRB P10828 3/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 3/20 0.42
TDP1 Q9NUW8 4/20 0.41

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 0.84 GAA (0.77) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL29708495 0.84 GAA (0.77) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL376200 0.84 GAA (0.77) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL28285293 0.82 MAPT (0.72) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL23057879 0.81 GAA (0.67) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL28285295 0.81 GAA (0.70) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL10068514 0.80 GAA (0.65) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL28285299 0.79 GAA (0.68) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL25533949 0.79 GAA (0.63) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL25533206 0.79 GAA (0.52) GAAMAPTKDM4EALDH1A1MEN1

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-11655339-B2 Polybenzimidazole, precursor polyamide thereof, and method for producing same DAIKIN INDUSTRIES, LTD. (JP) 2023-05-23 US disclosed
US-20230128992-A1 POLYBENZIMIDAZOLE, PRECURSOR POLYAMIDE THEREOF, AND METHOD FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed