SCHEMBL23028720

SCHEMBL23028720

c1ccc(C23c4ccccc4Oc4cc(-c5cccc6ccccc56)cc(c42)-c2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL23028721 0.84 CHRNB4 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23028890 0.83 ENPP1 (0.38) CHRNB4CHRNA3MCL1ACMSDKDM4E
SCHEMBL23028726 0.83 PDPK1 (0.32) KDM4E
SCHEMBL23028845 0.83 GPR84 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23028725 0.81 KDM4E (0.41) KDM4EMAPTMAPK1ATMSMN1; SMN2
SCHEMBL23028713 0.81 KDM4E (0.36) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL23028796 0.81 TNF (0.42) KDM4ELMNA
SCHEMBL23028714 0.81
SCHEMBL23028708 0.80 ENPP3 (0.41) CHRNB4CHRNA3MCL1ACMSDKDM4E
SCHEMBL25858740 0.80 MCL1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed