SCHEMBL8853145

SCHEMBL8853145

Nc1nc(NCCCO)nc(C2CCCC(c3nc(N)nc(NCCCO)n3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
NUDT1 P36639 1/20 0.35
KCNH3 Q9ULD8 3/20 0.35
HTR1A P08908 4/20 0.32
DRD2 P14416 3/20 0.32
HTR2A P28223 3/20 0.32
HTR7 P34969 3/20 0.32
HTR6 P50406 3/20 0.32
SLC29A1 Q99808 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8467679 0.90 NUDT1 (0.36) CDK1CDK2NUDT1KCNH3HTR1A
SCHEMBL8468651 0.90 SLC29A1 (0.38) CDK1CDK2SLC29A1HRH4MEN1
SCHEMBL8468432 0.87 NUDT1 (0.38) CDK1CDK2NUDT1KCNH3HTR1A
SCHEMBL8466164 0.83 ALDH1A1 (0.40) KCNH3MEN1KMT2A
SCHEMBL8853096 0.81 SLC29A1 (0.41) CDK1CDK2KCNH3SLC29A1MEN1
SCHEMBL8523425 0.79 HRH4 (0.40) CDK1SLC29A1HRH4MEN1KMT2A
SCHEMBL8468640 0.78 HRH4 (0.40) CDK1SLC29A1HRH4MEN1KMT2A
SCHEMBL8853173 0.77 KCNH3 (0.46) CDK1CDK2KCNH3SLC29A1MEN1
SCHEMBL6638595 0.77 NUDT1 (0.49) CDK1CDK2NUDT1KCNH3HTR1A
SCHEMBL6641730 0.77 KCNH3 (0.51) CDK1CDK2NUDT1KCNH3HTR1A

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