SCHEMBL7870934

SCHEMBL7870934

O=[N+]([O-])c1cccc(OCCC(O)COc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
NPC1 O15118 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HSP90AB1 P08238 1/20 0.46
LTA4H P09960 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL11241976 0.90 CHRNB2 (0.56) CHRNB2CHRNA4NPC1KMT2AMEN1
SCHEMBL6482501 0.86 TSHR (0.57) CHRNB2CHRNA4NPC1KMT2AMEN1
SCHEMBL6482493 0.86 TSHR (0.57) CHRNB2CHRNA4NPC1KMT2AMEN1
SCHEMBL4331856 0.84 CHRNB2 (0.62) CHRNB2CHRNA4KMT2AMEN1ALDH1A1
SCHEMBL773149 0.84 NPC1 (0.53) CHRNB2CHRNA4NPC1KMT2AMEN1
SCHEMBL4331852 0.84 NPC1 (0.55) CHRNB2CHRNA4NPC1KMT2AMEN1
SCHEMBL15498199 0.82 CHRNB2 (0.73) CHRNB2CHRNA4KMT2AMEN1ALDH1A1
SCHEMBL13251266 0.81 CHRNB2 (0.65) CHRNB2CHRNA4KMT2AMEN1ALDH1A1
SCHEMBL10420079 0.81 CHRNB2 (0.60) CHRNB2CHRNA4KMT2AMEN1ALDH1A1
Methane SCHEMBL27262738 0.80 CHRNB2 (0.63) CHRNB2CHRNA4KMT2AMEN1ALDH1A1

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-6307002-B1 POLYIMIDES FROM TETRAACIDS AND DIAMINES KANEKA CORPORATION (JP) 2001-10-23 US disclosed