SCHEMBL8979256

SCHEMBL8979256

O=C(c1ccccc1OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
APEX1 P27695 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PARP1 P09874 1/20 0.43
SGMS2 Q8NHU3 2/20 0.42
HTT P42858 3/20 0.42
ELANE P08246 1/20 0.41
PTK2B Q14289 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2446818 0.88 APEX1 (0.57) NPC1KMT2AAPEX1LMNAMAPT
SCHEMBL9696207 0.77 SGMS2 (0.66) NPC1KMT2ALMNAMAPTL3MBTL1
SCHEMBL5839896 0.74 ALDH1A1 (0.54) NPC1KMT2AAPEX1LMNAMAPT
SCHEMBL489857 0.74 ALDH1A1 (0.48) KMT2ALMNAMAPTALDH1A1PARP1
SCHEMBL5839695 0.73 APEX1 (0.56) NPC1KMT2AAPEX1LMNAMAPT
SCHEMBL12301135 0.73 KDM4E (0.47) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL2089466 0.72 KMT2A (0.57) NPC1KMT2AAPEX1LMNAMAPT
SCHEMBL206583 0.72 HCRTR1 (0.66) KMT2ARAB9ALMNAMAPTL3MBTL1
SCHEMBL10451670 0.71 KDM4E (0.49) KMT2ALMNAMAPTALDH1A1HTT
SCHEMBL5839915 0.71 APEX1 (0.53) NPC1KMT2ARAB9AAPEX1LMNA

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
US-5512486-A Single step signal group-imidazole labeling of organic phosphate groups under aqueous conditions NORTHEASTERN UNIVERSITY (US) 1996-04-30 US disclosed