SCHEMBL6420871

SCHEMBL6420871

CCCCCN1C=COc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
CES1 P23141 2/20 0.38
CDC25A P30304 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR1A P08908 1/20 0.35
SCN9A Q15858 1/20 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
SCHEMBL29248679 0.88 MEN1 (0.35) MEN1KMT2AMAPTSMN1; SMN2THRB
SCHEMBL19337001 0.81 KDM4E (0.35) MAPTSMN1; SMN2HTTKDM4ELMNA
SCHEMBL29036155 0.78 PRMT6 (0.34) P2RX1P2RX4
SCHEMBL29036146 0.78 BCHE (0.34) CES1
SCHEMBL30534441 0.78 BCHE (0.34) CES1
SCHEMBL29036163 0.74 SLC6A2 (0.31)
SCHEMBL29036162 0.72 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1
SCHEMBL30534482 0.72 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1
SCHEMBL30534525 0.71 NSD2 (0.41) THRBALDH1A1ALDH2ALDH3A1CES1
SCHEMBL29935680 0.71 SMN1; SMN2 (0.33) MAPTSMN1; SMN2HTTALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 EP disclosed