SCHEMBL8468622

SCHEMBL8468622

OCCOCCNc1n[c]nc(NCCOCCO)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.53
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LATS1 O95835 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL8466091 0.89 KCNH3 (0.43) KCNH3TSHRMAPK1MEN1KMT2A
SCHEMBL1292560 0.86 KCNH3 (0.65) KCNH3TSHRMAPK1MEN1KMT2A
SCHEMBL8468643 0.80 RECQL (0.46) KCNH3MAPK1MEN1KMT2AALDH1A1
SCHEMBL8468561 0.79 KCNH3 (0.33) KCNH3TSHR
SCHEMBL5470953 0.78 KCNH3 (0.56) KCNH3TSHRMAPK1MEN1KMT2A
SCHEMBL8146602 0.78 KCNH3 (0.56) KCNH3TSHRMAPK1MEN1KMT2A
SCHEMBL2843832 0.78 KCNH3 (0.56) KCNH3TSHRMAPK1MEN1KMT2A
SCHEMBL6639253 0.78 KCNH3 (0.56) KCNH3KMT2AALDH1A1MAPT
SCHEMBL8466255 0.76 KCNH3 (0.47) KCNH3MAPK1MEN1KMT2AALDH1A1
SCHEMBL2370363 0.74 KCNH3 (0.53) KCNH3TSHRMAPK1MEN1KMT2A

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