SCHEMBL8465996

SCHEMBL8465996

OCCNc1nc(NCCO)nc(C23CCC(CC2)C3)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
SLC29A1 Q99808 4/20 0.36
GBA1 P04062 4/20 0.35
POLB P06746 1/20 0.35
KCNH3 Q9ULD8 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8468332 0.84 CXCR4 (0.31)
SCHEMBL1032510 0.72 KMT2A (0.60) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL8468626 0.65 SLC29A1 (0.45) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL14380953 0.64 KMT2A (0.52) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL8853096 0.63 SLC29A1 (0.41) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL1031350 0.63 KMT2A (0.50) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL9754777 0.63 KMT2A (0.70) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL8630201 0.63 KMT2A (0.55) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL8039569 0.63 KMT2A (0.61) RECQLMCL1KMT2AMAPK1MEN1
SCHEMBL8853122 0.62 RECQL (0.39) RECQLMCL1KMT2AMAPK1MEN1

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