SCHEMBL28408773

SCHEMBL28408773

O=[N+]([O-])CN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL14818234 0.75 SIRT6 (0.37) ALDH1A1L3MBTL1KDM4EHTTTDP1
SCHEMBL6091577 0.75 KCNJ1 (0.43) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8670408 0.75 HRH3 (0.47) MAPTALDH1A1L3MBTL1KDM4EHTT
SCHEMBL20214885 0.72 HRH3 (0.48) MAPTALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL9901089 0.69 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1KDM4EHTT
SCHEMBL924167 0.66 ALDH1A1 (0.30) MAPTALDH1A1TDP1
SCHEMBL9799773 0.66 ALDH1A1 (0.44) MAPTALDH1A1KDM4EHTTTDP1
Nitric Acid SCHEMBL29973508 0.64 OPRD1 (0.35) MAPTALDH1A1L3MBTL1KDM4EHTT
SCHEMBL9321683 0.64 TSHR (0.37) MAPTALDH1A1L3MBTL1HTTMEN1
SCHEMBL2347952 0.63

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-112126141-A Preparation method of rubber material with high aging resistance 东莞市万里行橡胶有限公司 2020-12-25 CN claimed
CN-112126141-A Preparation method of rubber material with high aging resistance 东莞市万里行橡胶有限公司 2020-12-25 CN disclosed
CN-110835338-A Imidazopyridine derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2020-02-25 CN disclosed