SCHEMBL889888

SCHEMBL889888

[2H]C[C@H]1O[C@@H](n2ncc3c(NC(=O)c4ccccc4)ncnc32)CC1OC(=O)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.37
▸ KDR P35968 6/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MAPT P10636 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
SCHEMBL889922 0.93 SMN1; SMN2 (0.36) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13889497 0.89 POLB (0.38) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL12601698 0.89 POLB (0.38) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL889728 0.83 MAPT (0.41) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13889495 0.82 POLB (0.37) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL12601697 0.82 POLB (0.37) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL12601699 0.75 ALDH1A1 (0.43) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL26298205 0.75 ALDH1A1 (0.43) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13889496 0.75 ALDH1A1 (0.43) RETKDRSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL12601712 0.74 ADK (0.48) RETKDRSIGMAR1

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
Send feedback