SCHEMBL8713601

SCHEMBL8713601

CCCCCCCCCCNc1nc(N)nc(C2CCC(c3nc(N)nc(NCCCCCCCCCC)n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
TLR8 Q9NR97 4/20 0.41
DNM2 P50570 6/20 0.40
KCNH3 Q9ULD8 2/20 0.39
TLR7 Q9NYK1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
CDK9 P50750 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL27559534 0.94 TLR8 (0.43) KMT2ATLR8TLR7KDM4EMEN1
SCHEMBL8468569 0.93 TLR7 (0.42) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL1034958 0.82 KMT2A (0.53) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL3295770 0.82 KMT2A (0.57) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL754956 0.82 KMT2A (0.53) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL3297526 0.82 KMT2A (0.57) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL8752650 0.82 KMT2A (0.53) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL3301451 0.82 KMT2A (0.53) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL4451532 0.82 KMT2A (0.53) KMT2ATLR8DNM2KCNH3TLR7
SCHEMBL3297429 0.82 KMT2A (0.53) KMT2ATLR8DNM2KCNH3TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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