SCHEMBL8307799

SCHEMBL8307799

COc1cc(CC(=O)N2CC[N]CC2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 2/20 0.52
CYP2C9 P11712 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 2/20 0.51
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GFER P55789 1/20 0.47
HPGD P15428 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL18257816 0.88 KMT2A (0.73) KMT2ASMN1; SMN2LMNAHTTKDM4E
SCHEMBL20327274 0.87 KMT2A (0.76) KMT2ASMN1; SMN2LMNAHTTKDM4E
SCHEMBL7433455 0.85 KMT2A (0.59) KMT2ASMN1; SMN2LMNAHTTKDM4E
SCHEMBL160520 0.79 POLB (0.68) SMN1; SMN2LMNAHTTKDM4EPOLB
SCHEMBL23244269 0.78 GFER (0.64) KMT2AHTTKDM4EHSD17B10MEN1
SCHEMBL1617351 0.77 KMT2A (0.56) KMT2ASMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL11355367 0.75 POLB (0.59) KMT2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL8308417 0.75 KDM4E (0.67) KMT2ASMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL7046945 0.73 PTGS2 (0.57) KMT2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL3768296 0.73 KMT2A (0.49) KMT2AKDM4EHSD17B10MEN1CYP2C9

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-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed