SCHEMBL28041170

SCHEMBL28041170

C[Hf](C)C1C=Cc2c(-c3ccc(CN)cc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
TAAR1 Q96RJ0 4/20 0.36
TLR8 Q9NR97 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
AKT2 P31751 1/20 0.34
ADRB2 P07550 1/20 0.33
LTA4H P09960 1/20 0.32
CYP2A6 P11509 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL28041133 0.88 HTR7 (0.37) TLR8CD274
SCHEMBL28041360 0.84 EDNRB (0.32) CD274
SCHEMBL27978443 0.83 CHRNB2 (0.33) CD274CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL28041213 0.80 BRD4 (0.34)
SCHEMBL28041264 0.80 BRD4 (0.34) NPC1TP53SMN1; SMN2
SCHEMBL28041359 0.80 DPP4 (0.39)
SCHEMBL28041134 0.80
SCHEMBL17386746 0.76 HTR7 (0.31) NPC1SMN1; SMN2
SCHEMBL18124398 0.73 RXRA (0.33)
SCHEMBL28041212 0.73

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