SCHEMBL8468640

SCHEMBL8468640

Nc1nc(NCCO)nc(C2CCC(c3nc(NCCO)nc(NCCO)n3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
SLC29A1 Q99808 3/20 0.39
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
GBA1 P04062 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDK1 P06493 1/20 0.35
FCGR3B O75015 1/20 0.34
FCGR1A P12314 1/20 0.34
FCGR2A P12318 1/20 0.34

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
SCHEMBL8523425 0.98 HRH4 (0.40) HRH4SLC29A1RECQLMCL1GBA1
SCHEMBL8468432 0.88 NUDT1 (0.38) HRH4CDK1
SCHEMBL8466184 0.86 KCNH3 (0.45) HRH4KMT2AMEN1
SCHEMBL8468651 0.85 SLC29A1 (0.38) HRH4SLC29A1RECQLMCL1GBA1
SCHEMBL8468290 0.83 KCNH3 (0.45) KMT2AMEN1
SCHEMBL1031350 0.82 KMT2A (0.50) HRH4SLC29A1RECQLMCL1GBA1
SCHEMBL8467679 0.82 NUDT1 (0.36) HRH4SLC29A1KMT2AMEN1CDK1
SCHEMBL8468626 0.81 SLC29A1 (0.45) SLC29A1RECQLMCL1GBA1KMT2A
SCHEMBL18062210 0.80 RECQL (0.48) HRH4SLC29A1RECQLMCL1GBA1
SCHEMBL8853173 0.80 KCNH3 (0.46) SLC29A1RECQLMCL1KMT2AMAPK1

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