SCHEMBL8048758

SCHEMBL8048758

Nc1nc(N)nc(C2CCCCC2c2nc(N)nc(N)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.38
▸ NOS3 P29474 3/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ HRH4 Q9H3N8 3/20 0.35
▸ HRH2 P25021 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ ACHE P22303 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
SCHEMBL8048336 0.89 CASP1 (0.32) —
SCHEMBL9488754 0.84 HRH2 (0.35) NOS1NOS3NOS2HRH4HRH2
SCHEMBL10900436 0.80 NOS3 (0.32) NOS1NOS3NOS2
SCHEMBL8465596 0.80 NUDT1 (0.43) HRH4NUDT1
SCHEMBL9489467 0.79 HRH4 (0.44) HRH4HRH2HRH3
SCHEMBL808435 0.77 HRH2 (0.43) HRH4HRH2HRH3NUDT1
SCHEMBL4838901 0.77 HRH2 (0.43) HRH4HRH2HRH3NUDT1
SCHEMBL8467756 0.75 KMT2A (0.47) —
SCHEMBL8052575 0.72 PDE10A (0.45) HRH4HRH2HRH3
SCHEMBL7193572 0.72 PDE10A (0.45) HRH4HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634406-B1 DIGUANAMINE, AND PRODUCTION, DERIVATIVE AND USE THEREOF MITSUI CHEMICALS INC (JP) 2000-05-03 — — EP disclosed
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-0634406-A1 DIGUANAMINE, AND PRODUCTION, DERIVATIVE AND USE THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-18 — — EP 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
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