Sugi Predict

Sugi Predict / Compounds / SCHEMBL26193003

SCHEMBL26193003

SCHEMBL26193003

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cccc(-c5ccccc5-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE1B Q01064 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ PDE11A Q9HCR9 1/20 0.31
▸ RXFP1 Q9HBX9 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
SCHEMBL26193448 0.99 KDM4E (0.35) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL26193830 0.97 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL22258147 0.96 KDM4E (0.38) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL22257988 0.95 KDM4E (0.35) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL26193447 0.94 KDM4E (0.35) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL22329558 0.94 KDM4E (0.38) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL23947431 0.93 KDM4E (0.35) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL22257888 0.93 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL26194346 0.93 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL26193828 0.92 KDM4E (0.33) 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
WO-2023163381-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC MATERIAL LAYER FORMATION COMPOSITION WHICH COMPRISE SAME 엘티소재주식회사 2023-08-31 — — WO disclosed