SCHEMBL28066602

SCHEMBL28066602

[CH2]c1ccc(CN)cc1CN

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
LOXL2 Q9Y4K0 6/20 0.39
ABAT P80404 1/20 0.37
PNMT P11086 1/20 0.37
ENPP2 Q13822 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
CYP2A6 P11509 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LOX P28300 1/20 0.34
LOXL3 P58215 1/20 0.34
CSNK2A1 P68400 2/20 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
SCHEMBL28835049 0.81 PNMT (0.41) HRH3LOXL2ABATPNMTENPP2
SCHEMBL9578764 0.78 PNMT (0.31) PNMT
SCHEMBL29760412 0.77 HRH3 (0.46) HRH3LOXL2ABATPNMTENPP2
SCHEMBL63659 0.77 HRH3 (0.46) HRH3LOXL2ABATPNMTENPP2
SCHEMBL27588619 0.74
SCHEMBL27883294 0.74 HRH3 (0.39) HRH3LOXL2ABATPNMTENPP2
SCHEMBL11877971 0.74 ABAT (0.41) LOXL2ABATENPP2TAAR1
SCHEMBL28922773 0.74 HRH3 (0.39) HRH3LOXL2ABATPNMTENPP2
SCHEMBL17196243 0.73 LOXL2 (0.46) HRH3LOXL2ABATPNMTENPP2
SCHEMBL11691757 0.71 LOXL2 (0.44) HRH3LOXL2ABATPNMTENPP2

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-103732632-B Method for producing olefin block polymer using Group 4 transition metal complex 住友化学株式会社 2017-07-07 CN disclosed
CN-103958548-B Use the manufacture method of the olefin block polymers of multiple transition-metal catalyst SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-05-18 CN disclosed