Sugi Predict

Sugi Predict / Compounds / SCHEMBL24907901

SCHEMBL24907901

SCHEMBL24907901

c1ccc(-c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4oc5cc6ccccc6cc5c34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ PPARG P37231 7/20 0.32
▸ PPARA Q07869 7/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ HPGD P15428 2/20 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
SCHEMBL24048103 0.93 ESR1 (0.31) CYP1A1CYP1A2CYP1B1
SCHEMBL24908004 0.92 CA12 (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL24907870 0.92 CA12 (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL24907799 0.92 — —
SCHEMBL24908008 0.92 — —
SCHEMBL24907894 0.92 — —
SCHEMBL24907976 0.92 KDM4E (0.31) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL24907677 0.91 — —
SCHEMBL24907930 0.90 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL24048421 0.90 CYP1A1 (0.31) CYP1A1CYP1A2CYP1B1

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-2023003436-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 — — WO disclosed