SCHEMBL8468290

SCHEMBL8468290

Nc1nc(N)nc(C2CCC(c3nc(NCCOCCO)nc(NCCOCCO)n3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.45
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR7 P34969 2/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL8466184 0.97 KCNH3 (0.45) KCNH3ALDH1A1MEN1KMT2AHTR7
SCHEMBL8466164 0.87 ALDH1A1 (0.40) KCNH3ALDH1A1MEN1KMT2A
SCHEMBL8468168 0.85 KCNH3 (0.48) KCNH3ALDH1A1MEN1KMT2A
SCHEMBL8468640 0.83 HRH4 (0.40) MEN1KMT2A
SCHEMBL2370363 0.82 KCNH3 (0.53) KCNH3ALDH1A1MEN1KMT2AHTR7
SCHEMBL2843832 0.82 KCNH3 (0.56) KCNH3ALDH1A1MEN1KMT2AHTR7
SCHEMBL8523425 0.81 HRH4 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL7777696 0.81 KCNH3 (0.51) KCNH3ALDH1A1MEN1KMT2AHTR7
SCHEMBL8853423 0.81 KCNH3 (0.47) KCNH3ALDH1A1MEN1KMT2A
SCHEMBL8468432 0.80 NUDT1 (0.38) KCNH3HTR7

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 11 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
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