SCHEMBL7156221

SCHEMBL7156221

CCCCCCCCCCCCCCCCOc1ccccc1[SiH](OCc1ccccc1[N+](=O)[O-])OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
RECQL P46063 2/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 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
SCHEMBL7624193 0.82 MAOB (0.48) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL31734218 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL30517741 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL29794119 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL2304857 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL50769 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL1123538 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL8581954 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL18012379 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1
SCHEMBL29361974 0.79 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1ALDH1A1

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-20030032729-A1 Curable resin composition, process for producing the same, and coated object made with the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-13 US disclosed