SCHEMBL8468231

SCHEMBL8468231

[c]1nc(NCCN2CCCCC2)nc(NCCN2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.47
TOP2A P11388 1/20 0.43
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
ACP1 P24666 1/20 0.39
SMARCA2 P51531 1/20 0.39
KAT2B Q92831 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL8465810 0.83 MEN1 (0.57) PIM1TOP2AMEN1KMT2ABACE1
SCHEMBL1308939 0.75 LMNA (0.51) PIM1TOP2ACARM1PRMT6PRMT8
SCHEMBL5032352 0.75 HTR1A (0.50) PIM1MEN1KMT2A
SCHEMBL8467108 0.73 CA1 (0.42) PIM1HRH3
SCHEMBL9672230 0.73 HRH3 (0.54) TOP2AHRH3ACHEKAT2B
SCHEMBL30784981 0.73 HTR1A (0.51) PIM1CARM1PRMT6PRMT8MEN1
SCHEMBL13406345 0.72 SIGMAR1 (0.45) PIM1TOP2AMEN1KMT2AACHE
SCHEMBL25166372 0.72 CARM1 (0.42) PIM1TOP2ACARM1PRMT6PRMT8
SCHEMBL5597059 0.72 HRH3 (0.44) PIM1TOP2AHRH3ACHEKAT2B
SCHEMBL8853172 0.71 TOP2A (0.39) PIM1TOP2ACARM1PRMT6PRMT8

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