SCHEMBL28335014

SCHEMBL28335014

CC(NC(N)=O)c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4598188 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHTTLMNACFTR
SCHEMBL27509786 0.81 ALDH1A1 (0.59) ALDH1A1GAAHTTLMNA
SCHEMBL23381716 0.80 ESR1 (0.51) ALDH1A1KDM4EHTTCFTRHSD17B10
Sulfuric Acid SCHEMBL11088013 0.80 KDM4E (0.42) ALDH1A1KDM4EHTT
SCHEMBL29825391 0.77 ALDH1A1 (0.63) ALDH1A1GAALMNA
SCHEMBL5520593 0.77 ALDH1A1 (0.63) ALDH1A1GAALMNA
SCHEMBL12906742 0.77 ALDH1A1 (0.63) ALDH1A1GAALMNA
SCHEMBL12943904 0.77 ALDH1A1 (0.63) ALDH1A1GAALMNA
SCHEMBL3820956 0.77 ATM (0.43) ALDH1A1KDM4EHSD17B10
SCHEMBL4596352 0.77 ATM (0.43) ALDH1A1KDM4EHSD17B10

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-111448510-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, and method for producing liquid crystal element JSR株式会社 2020-07-24 CN disclosed
CN-111433665-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, and method for producing liquid crystal element JSR株式会社 2020-07-17 CN disclosed
CN-105733610-B Composition containing polyamic acid polymer, liquid crystal aligning agent, liquid crystal aligning film and liquid crystal display element JSR株式会社 2019-12-17 CN disclosed