SCHEMBL25866240

SCHEMBL25866240

CC1(C)c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2ccc3ccccc3c21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL25864088 0.94 PDK2 (0.31) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25866479 0.93 PDK2 (0.33) PDK2ENPP3ENPP1
SCHEMBL25865252 0.93 PDK2 (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25866697 0.91
SCHEMBL25864273 0.90 PDK2 (0.30) PDK2
SCHEMBL25867533 0.90 MEN1 (0.33) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25879342 0.90 KDM4E (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25866175 0.90 KDM4E (0.32) PDK2ENPP3ENPP1MEN1KMT2A
SCHEMBL25863796 0.89 ENPP3 (0.32) ENPP3ENPP1
SCHEMBL25871092 0.88 PDK2 (0.33) PDK2MEN1KMT2ACA12CA1

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