SCHEMBL9844790

SCHEMBL9844790

COC(=O)c1ccc(CCCC2CN(C)c3nc(N)n(OC(C)C)c(=O)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 9/20 0.38
CYP4A11 Q02928 2/20 0.37
CYP4F2 P78329 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR8 Q9NR97 1/20 0.35
LMNA P02545 1/20 0.34
HRH1 P35367 1/20 0.34
PTGS1 P23219 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL9844783 0.73 EP300 (0.39) EP300CYP4A11CYP4F2TLR8MAPT
SCHEMBL8997153 0.70 CYP4A11 (0.36) EP300CYP4A11CYP4F2MEN1KMT2A
SCHEMBL9844822 0.69 TBXAS1 (0.37) EP300MEN1KMT2AHRH1MAPT
SCHEMBL8997195 0.64 ATIC (0.35) EP300CYP4A11CYP4F2MEN1KMT2A
SCHEMBL8997209 0.64 CYP4A11 (0.43) EP300CYP4A11CYP4F2TLR8
SCHEMBL10169575 0.62 CYP4A11 (0.68) CYP4A11CYP4F2MEN1KMT2ALMNA
SCHEMBL12176878 0.61 CYP4A11 (0.70) CYP4A11CYP4F2LMNAMAPT
SCHEMBL19922842 0.61 CYP4A11 (0.60) CYP4A11CYP4F2MEN1KMT2AHRH1
SCHEMBL7505320 0.61 CYP4A11 (0.60) CYP4A11CYP4F2HRH1MAPTTHRB
SCHEMBL19609284 0.60 CYP4A11 (0.56) CYP4A11CYP4F2MEN1KMT2ALMNA

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
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed