SCHEMBL25201015

SCHEMBL25201015

CCn1cc(-c2cc(C)cc3c2OCCC3=O)c(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 13/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
GAA P10253 1/20 0.30
NR3C1 P04150 1/20 0.30
MPO P05164 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
SCHEMBL31315517 1.00 WDR5 (0.35) WDR5KDM4EMEN1CASP1KMT2A
SCHEMBL30427248 0.88 WDR5 (0.36) WDR5
SCHEMBL25199101 0.88 WDR5 (0.36) WDR5
SCHEMBL25187166 0.83 WDR5 (0.54) WDR5
SCHEMBL31315511 0.82 WDR5 (0.52) WDR5
SCHEMBL30427430 0.80 WDR5 (0.51) WDR5
SCHEMBL25264674 0.76 WDR5 (0.41) WDR5
SCHEMBL25192240 0.76 WDR5 (0.41) WDR5
SCHEMBL31315499 0.74 WDR5 (0.39) WDR5
SCHEMBL30427413 0.74 WDR5 (0.39) WDR5

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-2023090829-A1 LOW-MOLECULAR-WEIGHT COMPOUND FOR REGULATING MLL1-WDR5 INTERACTION AND USE THEREOF 엘젠테라퓨틱스 주식회사 2023-05-25 WO disclosed