Sugi Predict

Sugi Predict / Compounds / SCHEMBL24949532

SCHEMBL24949532

SCHEMBL24949532

c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc6ccccc6cc54)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ PPARG P37231 7/20 0.31
▸ PPARA Q07869 7/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 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
SCHEMBL24948863 0.95 CA12 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL24947104 0.93 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL24949515 0.93 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL24946997 0.93 CA12 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL26488634 0.92 CA12 (0.38) CA12CA1CA2CA9PPARG
SCHEMBL24949534 0.91 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL24946780 0.91 CA12 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL24948623 0.91 CA12 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL24374277 0.90 KDM4E (0.36) CA12CA1CA2CA9PPARG
SCHEMBL16731160 0.89 CA12 (0.35) CA12CA1CA2CA9KDM4E

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-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 — — WO disclosed