SCHEMBL11765817

SCHEMBL11765817

C=CCNCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.53
HEXA P06865 1/20 0.53
HEXB P07686 1/20 0.53
CASP3 P42574 1/20 0.50
SIRT1 Q96EB6 2/20 0.49
GLS O94925 1/20 0.47
ACHE P22303 4/20 0.47
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL28895602 0.90 ACHE (0.55) SIRT1ACHE
SCHEMBL805142 0.84 OGA (0.70) OGAHEXAHEXBCASP3SIRT1
SCHEMBL7973833 0.82 OGA (0.68) OGAHEXAHEXBCASP3SIRT1
SCHEMBL20818051 0.78 ALDH1A1 (0.59) OGAHEXAHEXBSIRT1GLS
SCHEMBL21852149 0.77 ACHE (0.54) OGAHEXAHEXBSIRT1GLS
SCHEMBL1210939 0.77 OGA (0.57) OGAHEXAHEXBSIRT1GLS
SCHEMBL7476248 0.77 SIRT1 (0.66) OGAHEXAHEXBSIRT1ACHE
SCHEMBL29419302 0.77 CASP3 (0.58) CASP3GLSPOLBNPSR1ALDH1A1
SCHEMBL369820 0.77 CASP3 (0.58) CASP3GLSPOLBNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL31238051 0.76 TERT (0.50) SIRT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484502-B Artemisinin derivative and intermediate, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2022-07-26 CN disclosed
CN-111484502-A Artemisinin derivative and intermediate, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2020-08-04 CN disclosed
US-4010180-A Process for the purification of copper phthalocyanine HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed