SCHEMBL25845588

SCHEMBL25845588

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4cc5c6c(cccc6c4)-c4ccccc4S5)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYMS P04818 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
SCHEMBL25846442 0.94 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25845967 0.93 PDK2 (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25855473 0.93 MEN1 (0.37) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25845956 0.93 TYMS (0.33) TYMS
SCHEMBL25854811 0.92 KDM4E (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25854120 0.90 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25844219 0.89 TYMS (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25845719 0.89 TYMS (0.33) TYMS
SCHEMBL25863517 0.89 PDK2 (0.32)
SCHEMBL25845829 0.89

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