SCHEMBL21709251

SCHEMBL21709251

c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5c5oc6ccccc6c45)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ NR2E3 Q9Y5X4 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ PTGER4 P35408 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL20175545 0.92 KDM4E (0.43) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19862880 0.90 KDM4E (0.35) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL18594108 0.90 KDM4E (0.35) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL18594113 0.88 KDM4E (0.35) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19862883 0.88 KDM4E (0.35) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL18594323 0.87 KDM4E (0.32) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19862872 0.87 ALOX5 (0.33) ALOX5CYP1A2CYP2C9
SCHEMBL17759475 0.86 KDM4E (0.38) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19653715 0.86 KDM4E (0.38) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19862867 0.85 KDM4E (0.32) KDM4EATML3MBTL1SIRT2SIRT1

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
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 — — WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 — — WO disclosed
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