SCHEMBL28126432

SCHEMBL28126432

Nc1ccc2ccc3ncccc3c2n1.[Co]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSP90AA1 P07900 3/20 0.50
HTT P42858 3/20 0.50
HIF1A Q16665 2/20 0.50
HSP90AB1 P08238 2/20 0.50
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
PLAU P00749 2/20 0.45
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GMNN O75496 1/20 0.42
MMP2 P08253 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL310511 0.98 LMNA (0.67) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL28007256 0.96 LMNA (0.65) LMNAMAPTKDM4ECYP3A4HSP90AA1
Dipyridyl SCHEMBL29137810 0.89 LMNA (0.56) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL723791 0.81 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL722331 0.81 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL249178 0.81 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL6903991 0.81 LMNA (0.53) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL1669125 0.80 LMNA (0.67) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL8313 0.79 LMNA (1.00) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL6513577 0.79 LMNA (1.00) LMNAMAPTKDM4ECYP3A4HSP90AA1

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-106673932-A 1-butylene dimerization method 中国石油化工股份有限公司 2017-05-17 CN disclosed
CN-106673933-A 1-butylene dimerization method 中国石油化工股份有限公司 2017-05-17 CN disclosed