SCHEMBL28696362

SCHEMBL28696362

O=C(Cl)c1cc2cccnc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.57
HRH4 Q9H3N8 2/20 0.56
HRH3 Q9Y5N1 1/20 0.56
DAO P14920 1/20 0.54
RIPK1 Q13546 13/20 0.49
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HDAC1 Q13547 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
SCHEMBL296469 0.84 HRH4 (0.57) CNR2HRH4HRH3DAORIPK1
SCHEMBL29994379 0.83 RIPK1 (0.60) CNR2HRH4HRH3DAORIPK1
SCHEMBL1647417 0.83 RIPK1 (0.60) CNR2HRH4HRH3DAORIPK1
Hydrochloric Acid SCHEMBL1878102 0.83 HRH4 (0.56) CNR2HRH4HRH3DAORIPK1
SCHEMBL4271585 0.80 HRH4 (0.57) CNR2HRH4HRH3DAORIPK1
SCHEMBL31088687 0.80 HRH4 (0.57) CNR2HRH4HRH3DAORIPK1
SCHEMBL13808700 0.80 KDM4E (0.59) CNR2HRH4HRH3DAORIPK1
SCHEMBL15848423 0.80 RIPK1 (0.62) CNR2HRH4HRH3DAORIPK1
Hydrochloric Acid SCHEMBL1879831 0.79 HRH4 (0.56) CNR2HRH4HRH3DAORIPK1
SCHEMBL12647218 0.79 HRH4 (0.56) CNR2HRH4HRH3DAORIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114054099-A Fe3O4@SiO2-2N-CoCl2Catalyst, preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN claimed
CN-114054099-B Fe (Fe) 3 O 4 @SiO 2 -2N-CoCl 2 Catalyst, preparation method and application thereof 万华化学集团股份有限公司 2023-07-11 CN disclosed