SCHEMBL8465810

SCHEMBL8465810

[c]1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
BACE1 P56817 3/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.51
PIM1 P11309 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
EGFR P00533 1/20 0.46
TOP2A P11388 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MKNK1 Q9BUB5 3/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL8468231 0.83 PIM1 (0.47) MEN1KMT2ABACE1PIM1TOP2A
SCHEMBL2638129 0.78 KMT2A (0.49) MEN1KMT2ABACE1LMNATSHR
SCHEMBL1309432 0.77 LMNA (0.71) MEN1KMT2ABACE1LMNATSHR
SCHEMBL8853168 0.76 MEN1 (0.57) MEN1KMT2ABACE1LMNATSHR
SCHEMBL949738 0.75 MEN1 (0.52) MEN1KMT2ABACE1LMNATSHR
SCHEMBL8467230 0.75 MEN1 (0.56) MEN1KMT2ABACE1LMNATSHR
SCHEMBL3550043 0.74 LMNA (0.60) MEN1KMT2ABACE1LMNATSHR
SCHEMBL1750786 0.74 MKNK1 (0.49) MEN1KMT2ABACE1LMNATSHR
SCHEMBL8467788 0.73 MEN1 (0.53) MEN1KMT2ABACE1LMNATSHR
SCHEMBL8852883 0.73 MEN1 (0.53) MEN1KMT2ABACE1LMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869184-A RESIN RAW MATERIALS FOR PAINTS, ADHESIVES MITSUI TOATSU CHEMICALS, INC. (JP) 1999-02-09 US disclosed
US-5744504-A AMINO RESIN; THERMOSETTING MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-28 US disclosed