SCHEMBL6677429

SCHEMBL6677429

CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.CC[n+]1ccccc1F.O=[Sb]([O-])([O-])Cl.O=[Sb]([O-])([O-])Cl.O=[Sb]([O-])([O-])Cl.O=[Sb]([O-])([O-])Cl.O=[Sb]([O-])([O-])Cl.O=[Sb]([O-])([O-])Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL21856613 0.85
SCHEMBL29475366 0.82 KDM4E (0.36) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22748788 0.82 KDM4E (0.36) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28579811 0.82 KDM4E (0.36) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5063458 0.80 KDM4E (0.35) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29475364 0.80 KDM4E (0.37) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1892729 0.80 KDM4E (0.37) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6681014 0.79 HDAC8 (0.38) KDM4ENPC1RAB9ASMN1; SMN2MEN1
Boric Acid SCHEMBL28579815 0.78 KDM4E (0.36) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5949650 0.73 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1MAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1445260-A1 Method of immobilising of chemical compounds to solid phases Jerini AG (DE) 2004-08-11 EP disclosed