SCHEMBL8853172

SCHEMBL8853172

C1CCN(CCNc2nc(NCCN3CCCCC3)nc(C3CC4CC3CC4c3nc(NCCN4CCCCC4)nc(NCCN4CCCCC4)n3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.39
PIM1 P11309 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 2/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ACP1 P24666 1/20 0.34
SMARCA2 P51531 1/20 0.34
LMNA P02545 1/20 0.34
BACE1 P56817 1/20 0.33
SLC29A1 Q99808 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 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
SCHEMBL8852883 0.86 MEN1 (0.53) TOP2APIM1MEN1KMT2ATSHR
SCHEMBL8853156 0.78 MEN1 (0.45) MEN1KMT2ATSHRLMNABACE1
SCHEMBL8466273 0.77 MEN1 (0.44) MEN1KMT2ATSHRLMNABACE1
SCHEMBL8853155 0.77 CA1 (0.42) HRH3CYP3A4CA1CA2CA9
SCHEMBL8852976 0.74 RECQL (0.41) MEN1KMT2ASLC29A1
SCHEMBL8853082 0.72 KCNH3 (0.43) KMT2ASLC29A1
SCHEMBL8465816 0.72 HRH3 (0.45) PIM1HRH3ACP1
SCHEMBL1308939 0.71 LMNA (0.51) TOP2APIM1ACHEMAPTLMNA
SCHEMBL8468231 0.71 PIM1 (0.47) TOP2APIM1MEN1KMT2AHRH3
SCHEMBL5032352 0.71 HTR1A (0.50) PIM1MEN1KMT2ALMNASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648446-A ADHESIVES, FIREPROOFING, HEAT RESISTANCE IN RESINS FOR MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
US-5646240-A THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-08 US disclosed
US-5596039-A FLAME RETARDERS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-21 US disclosed
US-5569726-A USEFUL IN FLAME-RETARDING, THERMAL STABILIZATION AND COMPATIBILIZATION OF RESINS AND IN THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-10-29 US disclosed
US-5545702-A THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-08-13 US disclosed
US-5536795-A ADHESIVES AND PAINTS AND FIREPROOFING THERMOSETTING RESINS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5480947-A N-METHYLOL DIGUANAMINES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0612777-A2 Thermosetting molding and expansion-forming compositions MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-08-31 EP disclosed
EP-0612797-A2 Modification method of resins MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-08-31 EP disclosed