SCHEMBL10909080

SCHEMBL10909080

O=[N+]([O-])/C=C/c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.67
MAOB P27338 10/20 0.67
TLR4 O00206 6/20 0.67
TLR2 O60603 6/20 0.67
BACE1 P56817 1/20 0.64
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10909084 1.00 MAOA (0.67) MAOAMAOBTLR4TLR2BACE1
SCHEMBL1646385 0.85 BACE1 (0.61) MAOAMAOBTLR4TLR2BACE1
SCHEMBL31053128 0.85 BACE1 (0.61) MAOAMAOBTLR4TLR2BACE1
SCHEMBL4888283 0.85 MAOA (0.63) MAOAMAOBTLR4TLR2BACE1
SCHEMBL4888277 0.85 MAOA (0.63) MAOAMAOBTLR4TLR2BACE1
SCHEMBL6372335 0.84 BACE1 (0.60) MAOAMAOBTLR4TLR2BACE1
SCHEMBL11839066 0.84 BACE1 (0.61) MAOAMAOBTLR4TLR2BACE1
SCHEMBL11839076 0.84 BACE1 (0.61) MAOAMAOBTLR4TLR2BACE1
SCHEMBL8010330 0.83 TLR4 (0.54) MAOAMAOBTLR4TLR2BACE1
SCHEMBL8010335 0.83 TLR4 (0.54) MAOAMAOBTLR4TLR2BACE1

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-4595765-A Process for preparing 5,6-dihydroxyindole CLAIROL INCORPORATED (US) 1986-06-17 US disclosed