SCHEMBL25858621

SCHEMBL25858621

c1ccc(C2(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c(ccc5ccccc35)O4)c3ccccc3-c3ccc4ccccc4c32)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
DHFR P00374 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
SCHEMBL25856503 0.95 MCL1 (0.32) PDK2MCL1ACMSD
SCHEMBL25865152 0.94 PDK2 (0.32) PDK2
SCHEMBL25866554 0.94 KDM4E (0.33) PDK2MCL1ACMSDDHFR
SCHEMBL25858405 0.93 PDK2 (0.33) PDK2DHFR
SCHEMBL25851817 0.93 CHRNA1 (0.32) MCL1ACMSD
SCHEMBL25858854 0.92 PDK2 (0.33) PDK2
SCHEMBL25850639 0.92 PDK2 (0.32) PDK2
SCHEMBL25866634 0.92 PDK2 (0.32) PDK2
SCHEMBL25852022 0.92 PDK2 (0.33) PDK2DHFR
SCHEMBL25865146 0.91 PDK2 (0.32) PDK2DHFR

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