SCHEMBL8466255

SCHEMBL8466255

OCCCNc1n[c]nc(NCCCO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.47
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
SLC29A1 Q99808 1/20 0.37
NUDT1 P36639 1/20 0.37
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL8468643 0.86 RECQL (0.46) KCNH3KMT2APOLBRAD52SLC29A1
SCHEMBL3295993 0.84 KCNH3 (0.60) KCNH3KMT2APOLBRAD52SLC29A1
SCHEMBL9118084 0.78 SLC29A1 (0.44) KCNH3KMT2ASLC29A1KDM4ECYP1A2
SCHEMBL6279465 0.77 KCNH3 (0.50) KCNH3KMT2ASLC29A1ALDH1A1CA1
SCHEMBL6641584 0.77 KCNH3 (0.61) KCNH3KMT2ASLC29A1RECQLMCL1
SCHEMBL8468622 0.76 KCNH3 (0.53) KCNH3KMT2ARECQLMCL1MEN1
SCHEMBL8465992 0.75 KMT2A (0.53) KCNH3KMT2ASLC29A1
SCHEMBL5663998 0.75 GAA (0.40) KCNH3KMT2APOLBRAD52SLC29A1
SCHEMBL1704387 0.75 GAA (0.44) POLBGAAKDM4EALDH1A1CA1
SCHEMBL6644498 0.75 KCNH3 (0.65) KCNH3KMT2ASLC29A1RECQLMCL1

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