SCHEMBL8468643

SCHEMBL8468643

OCCNc1n[c]nc(NCCO)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
SLC29A1 Q99808 4/20 0.39
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KCNH3 Q9ULD8 2/20 0.38
GBA1 P04062 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MITF O75030 1/20 0.34
LMNA P02545 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
SCHEMBL5663998 0.87 GAA (0.40) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL8466255 0.86 KCNH3 (0.47) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL5909588 0.86 KMT2A (0.47) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL7720112 0.86 GAA (0.39) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL8468483 0.86 KMT2A (0.39) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL1032510 0.82 KMT2A (0.60) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL10600472 0.81 KMT2A (0.41) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL8468622 0.80 KCNH3 (0.53) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL14380953 0.73 KMT2A (0.52) RECQLMCL1KMT2AGAAMAPK1
SCHEMBL9118084 0.73 SLC29A1 (0.44) KMT2ASLC29A1KDM4EKCNH3GBA1

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 2 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