SCHEMBL11217622

SCHEMBL11217622

CCO[Si](CCCNC(=O)Oc1cccc2cccnc12)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
LMNA P02545 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9257516 0.87 HSP90AA1 (0.57) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10753491 0.84 HSP90AA1 (0.60) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10751843 0.81 HSP90AA1 (0.63) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL11084416 0.78 HSP90AA1 (0.55) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL13411178 0.77 SMN1; SMN2 (0.41) HDAC6SMN1; SMN2HTTALDH1A1
SCHEMBL1169021 0.76 HCRTR1 (0.40) KDM4EMEN1KMT2A
SCHEMBL6537076 0.75 NCEH1 (0.36) ALDH1A1
SCHEMBL795857 0.75 HSP90AA1 (0.68) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL16919356 0.74 NPC1 (0.48) GAANPC1RAB9A
SCHEMBL3453951 0.73 HSP90AA1 (0.62) HSP90AA1LMNAL3MBTL1METAP2METAP1

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-4339581-A WATERBASED PAINTS UNION CARBIDE CORPORATION (US) 1982-07-13 US disclosed