SCHEMBL28078611

SCHEMBL28078611

Ic1cccc(-c2ccc3c(c2)C=C3)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
GALR1 P47211 1/20 0.34
APP P05067 2/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 2/20 0.31

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
SCHEMBL9294543 0.84 ESR1 (0.46) APPHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL22652789 0.81 HSD17B1 (0.48) METAP2CHRNB4CHRNA3FAAHMGLL
SCHEMBL6561405 0.81 METAP2 (0.50) METAP2CHRNB4CHRNA3FAAHMGLL
SCHEMBL9321615 0.77 HSD17B1 (0.44) METAP2CHRNB4CHRNA3FAAHMGLL
SCHEMBL27590721 0.77 ALDH1A1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9MEN1
SCHEMBL19658882 0.77 MAOA (0.48) METAP2CHRNB4CHRNA3MGLLHSD17B1
SCHEMBL21432864 0.76 METAP2 (0.40) METAP2CHRNB4CHRNA3FAAHMGLL
SCHEMBL22167041 0.75 MEN1 (0.48) METAP2CHRNB4CHRNA3MGLLAPP
SCHEMBL22173195 0.75 MEN1 (0.48) METAP2CHRNB4CHRNA3MGLLAPP
SCHEMBL17726092 0.75 MEN1 (0.48) METAP2CHRNB4CHRNA3MGLLAPP

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
CN-108530624-B Polymer, composition for organic electroluminescent element, and organic electroluminescent element 三菱化学株式会社 2021-10-26 CN disclosed
CN-108530624-A Polymer, composition for organic electroluminescent element, and organic electroluminescent element 三菱化学株式会社 2018-09-14 CN disclosed
CN-105683255-B Polymer, composition for organic electroluminescent element, organic E L display device, and organic E L lighting 三菱化学株式会社 2018-05-29 CN disclosed
CN-105683255-A Polymer, composition for organic electroluminescent element, organic EL display device, and organic EL lighting 三菱化学株式会社 2016-06-15 CN disclosed