SCHEMBL26417533

SCHEMBL26417533

CNc1ccc(C(c2ccc(CN)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCI P41743 1/20 0.36
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
KIF11 P52732 2/20 0.32
CFTR P13569 1/20 0.30

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
SCHEMBL29539971 0.88 MEN1 (0.45) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL376419 0.88 MEN1 (0.45) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL25533195 0.87 MEN1 (0.39) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL28230962 0.86 ESR1 (0.38) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL7543410 0.76 ESR1 (0.38) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL14934058 0.75 MEN1 (0.45) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL115650 0.74 ALDH1A1 (0.59) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL29540627 0.74 MAPT (0.47) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL376030 0.74 MAPT (0.47) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL4590973 0.72 ALDH1A1 (0.47) MEN1KMT2ATSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128992-A1 POLYBENZIMIDAZOLE, PRECURSOR POLYAMIDE THEREOF, AND METHOD FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed