SCHEMBL29449725

SCHEMBL29449725

CN(CCN(C)c1ccc(N)cn1)c1ccc(N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HCAR3 P49019 1/20 0.45
PKM P14618 1/20 0.39
AOC3 Q16853 2/20 0.38
POLB P06746 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL23620906 1.00 HRH3 (0.46) HRH3HCAR3PKMAOC3POLB
SCHEMBL3313839 0.94 HRH3 (0.54) HRH3HCAR3PKMAOC3POLB
SCHEMBL30380846 0.94 HRH3 (0.54) HRH3HCAR3PKMAOC3POLB
SCHEMBL23634036 0.94 HRH3 (0.42) HRH3HCAR3PKMAOC3POLB
SCHEMBL23620903 0.92 HRH3 (0.44) HRH3HCAR3PKMAOC3POLB
SCHEMBL23634074 0.91 ALDH1A1 (0.41) HRH3HCAR3PKMAOC3POLB
SCHEMBL2793987 0.90 HCAR3 (0.57) HRH3HCAR3PKMAOC3POLB
SCHEMBL18870745 0.89 HCAR3 (0.42) HRH3HCAR3PKMAOC3POLB
SCHEMBL2790993 0.89 POLB (0.50) HRH3HCAR3PKMAOC3POLB
SCHEMBL7245666 0.87 HRH3 (0.44) HRH3HCAR3PKMAOC3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112055832-B Liquid crystal aligning agent and manufacturing method thereof, liquid crystal alignment film and manufacturing method thereof, and liquid crystal element JSR株式会社 2023-12-05 CN disclosed
CN-108929705-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element, polymer, and diamine JSR株式会社 2023-05-30 CN disclosed
CN-110291455-B Liquid crystal aligning agent, liquid crystal alignment film and method for producing the same, liquid crystal element and polymer JSR株式会社 2022-03-22 CN disclosed