Sugi Predict

Sugi Predict / Compounds / SCHEMBL22706381

SCHEMBL22706381

SCHEMBL22706381

c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c(-c6ccc7cc8ccccc8cc7c6)c6cccc(-c7ccc8c9cc(-c%10ccc%11cc%12cc(-c%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14cc%14c(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)cccc%13%14)ccc%12cc%11c%10)ccc9n(-c9ccccc9)c8c7)c6cc45)cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGER4 P35408 1/20 0.32
▸ MET P08581 1/20 0.31
▸ TLR4 O00206 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
SCHEMBL22705682 0.97 KDM4E (0.36) KDM4EATML3MBTL1PTGER4MET
SCHEMBL22707523 0.92 KDM4E (0.38) KDM4EATML3MBTL1MET
SCHEMBL22707814 0.91 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL22706590 0.91 KDM4E (0.38) KDM4EATML3MBTL1PTGER4MET
SCHEMBL22706385 0.90 KDM4E (0.44) KDM4EATML3MBTL1PTGER4MET
SCHEMBL22708159 0.88 KDM4E (0.41) KDM4EATML3MBTL1PTGER4MET
SCHEMBL22708160 0.88 KDM4E (0.44) KDM4EATML3MBTL1MET
SCHEMBL22707777 0.86 L3MBTL1 (0.40) KDM4EATML3MBTL1PTGER4
SCHEMBL22706356 0.86 KDM4E (0.40) KDM4EATML3MBTL1MET
SCHEMBL22707779 0.86 L3MBTL1 (0.43) KDM4EATML3MBTL1

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 — — US disclosed