SCHEMBL25857454

SCHEMBL25857454

c1ccc(C2(c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3c2ccc2ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 2/20 0.31
TYMS P04818 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
SCHEMBL25857386 0.98 DHFR (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25847991 0.96 KDM4E (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25857455 0.95 KDM4E (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25847579 0.95 PDK2 (0.30) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25867638 0.95 PDK2 (0.30) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25858073 0.94 CHRNA1 (0.30)
SCHEMBL25856496 0.93 GPR84 (0.32) DHFRTYMS
SCHEMBL25857387 0.92 DHFR (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25856408 0.92 GPR84 (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25867582 0.91 CHRNA1 (0.31) KDM4E

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