SCHEMBL28403012

SCHEMBL28403012

N#CC(C#N)=Cc1ccc(-c2ccc(Nc3ccc(C=O)cc3)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.49
MAPT P10636 5/20 0.40
APP P05067 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 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
SCHEMBL29898513 0.85 MAPT (0.56) EGFRMAPTAPPMEN1KMT2A
SCHEMBL29898512 0.85 MAPT (0.56) EGFRMAPTAPPMEN1KMT2A
SCHEMBL28890682 0.82 APP (0.48) MAPTAPPKDM4EALDH1A1POLB
SCHEMBL28403009 0.75 HDAC1 (0.34) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL17966395 0.75 APP (0.50) MAPTAPPMEN1KMT2AKDM4E
SCHEMBL16532192 0.74 MAPT (0.51) MAPTAPPMEN1KMT2AKDM4E
SCHEMBL2407500 0.74 APP (0.53) MAPTAPPMEN1KMT2AKDM4E
SCHEMBL14762765 0.74 MAPT (0.61) MAPTAPPMEN1KMT2AKDM4E
SCHEMBL15096136 0.72 MAPT (0.47) MAPTAPPMEN1KMT2AKDM4E
SCHEMBL14930761 0.72 MAPT (0.46) EGFRMAPTAPPMEN1KMT2A

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 2 patents. 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
CN-111233824-A Organic spectrum conversion material, preparation method thereof and luminescent solar concentrator comprising organic spectrum conversion material 东泰高科装备科技有限公司 2020-06-05 CN disclosed