SCHEMBL8332829

SCHEMBL8332829

COc1ccc(C(OC(CO[Si](C)(C)C(C)(C)C)c2ccccc2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HRAS P01112 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL8072121 0.81 SMN1; SMN2 (0.41) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL5700649 0.79 ALDH1A1 (0.42) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL8332629 0.74 SMN1; SMN2 (0.43) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL8332753 0.73 SMN1; SMN2 (0.34) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL8331629 0.73 ALDH1A1 (0.48) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL8469094 0.71 NPSR1 (0.40) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL7156545 0.70 ALDH1A1 (0.40) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL14946791 0.70 KIF11 (0.43) KMT2AMEN1
SCHEMBL9098372 0.69 ALDH1A1 (0.47) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL12061890 0.68 KIF11 (0.44) NPC1SMN1; SMN2RAB9AKMT2AMEN1

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-5919917-A WITH NUCLEOTIDE SEQUENCE CAPABLE OF HYBRIDIZATION TO TARGET NUCLEIC ACID AFTER DECYCLIZATION; EXONUCLEASE AND ENDONUCLEASE RESISTANT; FOR ANTISENSE GENE THERAPY LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 1999-07-06 — — US disclosed
EP-0855403-A1 PHOTOCLEAVABLE CYCLIC OLIGONUCLEOTIDE Laboratory of Molecular Biophotonics (JP) 1998-07-29 — — EP disclosed
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