SCHEMBL25858852

SCHEMBL25858852

c1ccc(C2(c3ccccc3-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3ccc4ccccc4c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.30
DHFR P00374 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL22706095 0.85
SCHEMBL23307309 0.81 ALDH1A1 (0.33) KIF11KDM4EMEN1LMNAMAPT
SCHEMBL22706575 0.81 GPR84 (0.31)
SCHEMBL21583357 0.80 CYP19A1 (0.31) CYP19A1
SCHEMBL20619328 0.79 MAPT (0.36) KDM4ELMNAMAPTSMN1; SMN2NPC1
SCHEMBL22706629 0.79 GPR84 (0.36) KIF11
SCHEMBL22707425 0.78 GPR84 (0.36) KIF11
SCHEMBL22708196 0.78 GPR84 (0.34)
SCHEMBL22706089 0.77 KDM4E (0.33) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL22706657 0.77 KDM4E (0.33) KDM4EMEN1LMNAMAPTKMT2A

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