SCHEMBL25847108

SCHEMBL25847108

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5c4Sc4cccc6cccc-5c46)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.36
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
ALOX5 P09917 1/20 0.32
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25846817 0.93 TYMS (0.36) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25847106 0.93 TYMS (0.40) TYMSALOX5PDK2ALDH1A1TP53
SCHEMBL25862283 0.92 TYMS (0.37) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25855467 0.91 MEN1 (0.39) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25846819 0.90 TYMS (0.38) TYMSALOX5PDK2ALDH1A1TP53
SCHEMBL25854114 0.90 KDM4E (0.37) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25847310 0.89 KDM4E (0.33) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25870182 0.88 TYMS (0.36) TYMSKDM4EMEN1LMNAMAPT
SCHEMBL25862347 0.88 ALDH1A1 (0.36) TYMSALOX5PDK2ALDH1A1TP53
SCHEMBL25853920 0.87 TYMS (0.44) 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