SCHEMBL29898513

SCHEMBL29898513

N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccc(C=O)cc3)c3ccc(-c4ccc(C=C(C#N)C#N)s4)cc3)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
APP P05067 3/20 0.54
EGFR P00533 2/20 0.49
MEN1 O00255 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33
THRB P10828 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
CYP2A6 P11509 1/20 0.32
CYP2A13 Q16696 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29898512 1.00 MAPT (0.56) MAPTAPPEGFRMEN1ALDH1A1
SCHEMBL14762765 0.91 MAPT (0.61) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL20718508 0.85 MAPT (0.70) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL28403012 0.85 EGFR (0.49) MAPTAPPEGFRMEN1ALDH1A1
SCHEMBL18318924 0.84 MAPT (0.61) MAPTAPPALDH1A1KMT2APOLB
SCHEMBL29898511 0.82 APP (0.72) MAPTAPPALDH1A1POLBKDM4E
SCHEMBL23836832 0.81 MAPT (0.52) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL28643094 0.81 MAPT (0.52) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL20718538 0.79 MAPT (0.56) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL20154397 0.79 MAPT (0.56) MAPTAPPMEN1ALDH1A1KMT2A

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
CN-111233824-B Organic spectrum conversion material, preparation method thereof and luminescent solar concentrator comprising organic spectrum conversion material 紫石能源有限公司 2022-09-09 CN disclosed