SCHEMBL25878302

SCHEMBL25878302

c1ccc(C2(c3ccc4ccccc4c3)c3ccccc3-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)S5)cc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PDK2 Q15119 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
SCHEMBL25844906 0.94 TYMS (0.36) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25870630 0.92 TYMS (0.35) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25870449 0.91 TYMS (0.35) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25870182 0.91 TYMS (0.36) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25855465 0.90 MEN1 (0.37) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25878297 0.90 TYMS (0.32) TYMS
SCHEMBL25854006 0.89 KDM4E (0.36) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25862660 0.89 ALDH1A1 (0.35) TYMSPDK2
SCHEMBL25854804 0.89 TYMS (0.36) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25854242 0.88 TYMS (0.33) TYMSKDM4EMEN1LMNAMAPT

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