SCHEMBL28487513

SCHEMBL28487513

CC(=O)c1cc(C#N)cc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
CA5A P35218 1/20 0.46
TTR P02766 2/20 0.43
ALB P02768 2/20 0.43
GSK3B P49841 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
GPR35 Q9HC97 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.37

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
SCHEMBL13790659 0.95 ALDH1A1 (0.52) ALDH1A1MAPTCA5ATTRALB
SCHEMBL18354034 0.87 ALDH1A1 (0.46) ALDH1A1MAPTCA5ATTRALB
SCHEMBL23224112 0.86 ALDH1A1 (0.45) ALDH1A1MAPTCA5ATTRALB
SCHEMBL1764880 0.86 VNN1 (0.46)
SCHEMBL16953692 0.86 MAPT (0.45) ALDH1A1MAPTCA5ATTRALB
SCHEMBL26162808 0.84 FFAR1 (0.46) ALDH1A1MAPTGSK3B
SCHEMBL12187783 0.82 ALDH1A1 (0.42) ALDH1A1MAPTCA5ATTRALB
SCHEMBL13307469 0.82 ALDH1A1 (0.42) ALDH1A1MAPTCA5ATTRALB
SCHEMBL25159852 0.82 ENPP2 (0.46) ALDH1A1MAPTCA5ATTRALB
SCHEMBL26162735 0.81 ALDH1A1 (0.45) ALDH1A1MAPTCA5ATTRALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111960988-A Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2020-11-20 CN claimed
CN-111960988-B Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2021-02-02 CN disclosed
CN-111960988-B Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2021-02-02 CN disclosed
CN-111960988-A Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2020-11-20 CN disclosed
CN-111960988-A Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2020-11-20 CN disclosed