SCHEMBL21814436

SCHEMBL21814436

CCNC1=CC(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAOA P21397 3/20 0.31
▸ MAOB P27338 3/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ POLB P06746 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
SCHEMBL21814428 0.83 ACHE (0.40) ACHEBACE1ERBB2TDP1ALDH1A1
SCHEMBL21814456 0.79 ALDH1A1 (0.51) ACHEBACE1ERBB2TDP1ALDH1A1
SCHEMBL21814608 0.78 ACHE (0.49) ACHEBACE1ALDH1A1MEN1MAPT
SCHEMBL15630516 0.77 ALDH1A1 (0.36) ACHEBACE1ERBB2TDP1ALDH1A1
SCHEMBL21646080 0.77 MAOA (0.49) ACHEBACE1ERBB2TDP1ALDH1A1
SCHEMBL21814469 0.77 ACHE (0.51) ACHEBACE1ALDH1A1MEN1MAPT
SCHEMBL21814590 0.77 ACHE (0.51) ACHEBACE1ALDH1A1MEN1MAPT
SCHEMBL21814424 0.77 ACHE (0.51) ACHEBACE1ALDH1A1MEN1MAPT
SCHEMBL21814546 0.77 ACHE (0.51) ACHEBACE1ALDH1A1MEN1MAPT
SCHEMBL21814513 0.77 ACHE (0.51) ACHEBACE1ALDH1A1MEN1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856792-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING Ecolab USA, Inc. (US) 2021-08-04 — — EP claimed
CN-112739725-A Amino quinone anti-polymerization agents and methods of use thereof 埃科莱布美国股份有限公司 2021-04-30 — — CN claimed
US-20200102408-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. 2020-04-02 — — US claimed
WO-2020068735-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. (US) 2020-04-02 — — WO claimed
CN-112739725-B Amino quinone anti-polymerization agent and method of use thereof 埃科莱布美国股份有限公司 2023-09-26 — — CN disclosed
US-11312793-B2 Amino-quinone antipolymerants and methods of using ECOLAB USA INC. (US) 2022-04-26 — — US disclosed
EP-3856792-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING Ecolab USA, Inc. (US) 2021-08-04 — — EP disclosed
CN-112739725-A Amino quinone anti-polymerization agents and methods of use thereof 埃科莱布美国股份有限公司 2021-04-30 — — CN disclosed
US-20200102408-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. 2020-04-02 — — US disclosed
WO-2020068735-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. (US) 2020-04-02 — — WO disclosed
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