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Sugi Predict / Compounds / SCHEMBL20065532

SCHEMBL20065532

SCHEMBL20065532

CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PDE6D O43924 1/20 0.31

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
SCHEMBL20065529 0.99 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20065540 0.98 KDM4E (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20065536 0.98 KDM4E (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20065534 0.97 — —
SCHEMBL20065530 0.96 KMT2A (0.30) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20065744 0.95 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20066191 0.94 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20066190 0.93 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20065538 0.92 — —
SCHEMBL20066181 0.92 L3MBTL1 (0.31) ALDH1A1HPGDKDM4EL3MBTL1LMNA

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-2018070835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-04-19 — — WO disclosed