SCHEMBL4613312

SCHEMBL4613312

Ic1ccc2ccc3ncccc3c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
CYP3A4 P08684 2/20 0.53
HSP90AA1 P07900 4/20 0.43
HTT P42858 4/20 0.43
HIF1A Q16665 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GMNN O75496 1/20 0.43
MMP2 P08253 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL9860875 0.83 LMNA (0.69) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL8313 0.80 LMNA (1.00) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL6513577 0.80 LMNA (1.00) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL28431094 0.80 LMNA (0.65) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL7268962 0.79 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL3885158 0.79 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL15788918 0.79 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL7142651 0.79 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL723791 0.79 LMNA (0.96) LMNAMAPTKDM4ECYP3A4HSP90AA1
Iodide SCHEMBL10638043 0.79 LMNA (0.96) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626934-A Metal organic ligand and preparation method and application thereof 天津理工大学 2023-01-20 CN disclosed
EP-1520846-B1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORP (JP) 2008-03-05 EP disclosed
US-7138484-B2 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2006-11-21 US disclosed
US-20050075478-A1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
EP-1520846-A1 Method for producing polymerized hydrocarbon JFE Chemical Corporation (JP) 2005-04-06 EP disclosed