SCHEMBL28041133

SCHEMBL28041133

C[Hf](C)C1C=Cc2c(-c3cccc(CN)c3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.37
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
PDE4D Q08499 1/20 0.33
PNMT P11086 1/20 0.32
ENPP2 Q13822 1/20 0.32
TLR8 Q9NR97 1/20 0.31
CFD P00746 4/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CDK8 P49336 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL28041170 0.88 HRH3 (0.36) TLR8CD274
SCHEMBL27978443 0.80 CHRNB2 (0.33) HTR7CD274
Hydrochloric Acid SCHEMBL28041358 0.78 HTR7 (0.35) HTR7PDE4DPNMTENPP2CFD
SCHEMBL28041360 0.77 EDNRB (0.32) HTR7CD274
SCHEMBL28041350 0.77 BRD4 (0.36)
SCHEMBL28041345 0.77 KIF11 (0.38) HTR7
SCHEMBL28041359 0.77 DPP4 (0.39) NOS1NOS2NOS3PNMT
SCHEMBL18124398 0.73 RXRA (0.33)
SCHEMBL28041212 0.73
SCHEMBL17386746 0.73 HTR7 (0.31) HTR7

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-105026408-B Metallocene compound, olefin polymer catalyst, the manufacturing method of olefin polymer and olefin polymer 日本聚乙烯株式会社 2018-09-11 CN disclosed
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed