SCHEMBL8468626

SCHEMBL8468626

OCCNc1nc(NCCO)nc(C2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.45
CDK1 P06493 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
GBA1 P04062 5/20 0.40
POLB P06746 1/20 0.40
PDE5A O76074 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8853096 0.88 SLC29A1 (0.41) SLC29A1CDK1CCNB2CCNB1CCNA2
SCHEMBL8468168 0.84 KCNH3 (0.48) SLC29A1CDK1CCNB2CCNB1CCNA2
SCHEMBL8468640 0.81 HRH4 (0.40) SLC29A1CDK1RECQLMCL1KMT2A
SCHEMBL8853173 0.80 KCNH3 (0.46) SLC29A1CDK1CDK2RECQLMCL1
SCHEMBL8467679 0.80 NUDT1 (0.36) SLC29A1CDK1CDK2KMT2AMEN1
SCHEMBL8523425 0.79 HRH4 (0.40) SLC29A1CDK1RECQLMCL1KMT2A
SCHEMBL8468651 0.77 SLC29A1 (0.38) SLC29A1CDK1CCNB2CCNB1CCNA2
SCHEMBL8466188 0.76 TSHR (0.33) POLBPDE5AKCNH3ALDH1A1
SCHEMBL1032510 0.76 KMT2A (0.60) SLC29A1RECQLMCL1KMT2AMAPK1
SCHEMBL8465540 0.75 IDH2 (0.39) GBA1PDE5A

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