SCHEMBL25850864

SCHEMBL25850864

c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5ccc6ccccc6c54)cc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL25866554 0.97 KDM4E (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25850861 0.94 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25850866 0.93 KDM4E (0.31) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL25850639 0.92 PDK2 (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25866634 0.92 PDK2 (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25858516 0.91 PDK2 (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25871253 0.91 PDK2 (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25858621 0.91 PDK2 (0.32) MCL1ACMSD
SCHEMBL25850395 0.90 KDM4E (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25858969 0.90 PDK2 (0.33) 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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed