SCHEMBL24825940

SCHEMBL24825940

c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc7oc8c9ccccc9ccc8c7c6)c6cccc7ccccc67)cc5)cc4)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSPO P30536 1/20 0.31
PTPRF P10586 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
CYP1A1 P04798 3/20 0.30
CYP1A2 P05177 3/20 0.30
CYP1B1 Q16678 3/20 0.30
PDE5A O76074 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL24825944 1.00 SIRT2 (0.34) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL24826650 0.94 KDM4E (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL24826652 0.94 KDM4E (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL24825936 0.94 SIRT2 (0.37) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL24825558 0.94 KDM4E (0.32) KDM4EATML3MBTL1TSPO
SCHEMBL24825557 0.94 KDM4E (0.32) KDM4EATML3MBTL1TSPO
SCHEMBL24826758 0.94 KDM4E (0.33) KDM4EATML3MBTL1TSPOCYP1A1
SCHEMBL24826765 0.94 KDM4E (0.33) KDM4EATML3MBTL1TSPOCYP1A1
SCHEMBL24825130 0.93 CYP1A1 (0.32) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL24888966 0.93 SIRT2 (0.36) SIRT2SIRT1KDM4EATML3MBTL1

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
US-20220416174-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-29 US disclosed