SCHEMBL889728

SCHEMBL889728

[2H]C[C@H]1O[C@@H](n2ncc3c(NC(=O)c4ccccc4)ncnc32)CC1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ADK P55263 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RET P07949 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39

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
SCHEMBL13889496 0.86 ALDH1A1 (0.43) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL12601699 0.86 ALDH1A1 (0.43) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL26298205 0.86 ALDH1A1 (0.43) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL889732 0.85 ADK (0.48) ADKRETKDRSIGMAR1CSF1R
SCHEMBL26298301 0.85 ADK (0.48) ADKRETKDRSIGMAR1CSF1R
SCHEMBL12601712 0.85 ADK (0.48) ADKRETKDRSIGMAR1CSF1R
SCHEMBL889888 0.83 RET (0.37) MAPTPOLBKDM4EHSD17B10TP53
SCHEMBL889922 0.81 SMN1; SMN2 (0.36) MAPTRAB9APOLBKDM4EHSD17B10
SCHEMBL14805491 0.81 ADORA3 (0.52) ADKADORA3
SCHEMBL13889497 0.74 POLB (0.38) MAPTPOLBKDM4EHSD17B10TP53

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-8431366-B2 Modified oligonucleotides and applications thereof APPLIED BIOSYSTEMS, LLC (US) 2013-04-30 — — US disclosed
US-20110287431-A1 MODIFIED OLIGONUCLEOTIDES AND APPLICATIONS THEREOF Life Technologies Corporation (US) 2011-11-24 — — US disclosed
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