SCHEMBL28324399

SCHEMBL28324399

CC=NN=CCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.37
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL1024496 0.73
SCHEMBL4379548 0.72 ALDH1A1 (0.46) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL10805702 0.72 LOXL2 (0.46) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL5284766 0.72 LOXL2 (0.46) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL28500223 0.70 MEN1 (0.40) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL151828 0.70 LOXL2 (0.48) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL5495225 0.68 CYP3A4 (0.55) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C9
SCHEMBL25620226 0.67 IDO1 (0.44) CYP1A2HRH3TDP1
SCHEMBL25620239 0.67 IDO1 (0.43) ALDH1A1CYP2C9CYP2C19KDM4ETDP1
SCHEMBL27525586 0.67 CYP1A2 (0.43) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112326759-B Preparation method and application of cadmium ion selective electrode based on MOF material 宁波大学 2022-08-02 CN claimed
CN-112473625-B Preparation method of ultra-microporous metal organic framework material for separating acetylene and ethylene 杭州市富阳区浙工大银湖创新创业研究院 2022-05-20 CN claimed
CN-112473625-A Preparation method of ultra-microporous metal organic framework material for separating acetylene and ethylene 杭州市富阳区浙工大银湖创新创业研究院 2021-03-12 CN claimed
CN-112326759-A Preparation method and application of cadmium ion selective electrode based on MOF material 宁波大学 2021-02-05 CN claimed
CN-115028850-B Metal organic framework material for adsorbing and separating acetylene/ethylene mixed gas and preparation method thereof 同济大学 2023-05-12 CN disclosed
CN-115028850-A Metal organic framework material for adsorbing and separating acetylene/ethylene mixed gas and preparation method thereof 同济大学 2022-09-09 CN disclosed
CN-112326759-B Preparation method and application of cadmium ion selective electrode based on MOF material 宁波大学 2022-08-02 CN disclosed
CN-112473625-B Preparation method of ultra-microporous metal organic framework material for separating acetylene and ethylene 杭州市富阳区浙工大银湖创新创业研究院 2022-05-20 CN disclosed
CN-108840822-B One-dimensional Co functional complex and preparation method and application thereof 山西大学 2021-07-02 CN disclosed
CN-112473625-A Preparation method of ultra-microporous metal organic framework material for separating acetylene and ethylene 杭州市富阳区浙工大银湖创新创业研究院 2021-03-12 CN disclosed
CN-112326759-A Preparation method and application of cadmium ion selective electrode based on MOF material 宁波大学 2021-02-05 CN disclosed
CN-110354814-B Zinc-matrix MOFs material and application thereof in vanadium adsorption 成都理工大学 2020-10-30 CN disclosed
CN-108707160-B Zn functional complex and preparation method and application thereof 山西大学 2020-08-04 CN disclosed
CN-110845522-A One-dimensional Cu functional complex and preparation method and application thereof 山西大学 2020-02-28 CN disclosed
CN-110354814-A Zinc-base matter MOFs material and its application in vanadium absorption 成都理工大学 2019-10-22 CN disclosed