SCHEMBL19595083

SCHEMBL19595083

O=Cc1cccc(NO)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.57
▸ TLR2 O60603 1/20 0.48
▸ TLR1 Q15399 1/20 0.48
▸ TLR6 Q9Y2C9 1/20 0.48
▸ TRIM24 O15164 1/20 0.45
▸ TRIM33 Q9UPN9 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ IAPP P10997 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NOX4 Q9NPH5 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
SCHEMBL3730357 0.82 ERN1 (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL29957000 0.82 ERN1 (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL7033768 0.80 LMNA (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL419950 0.79 ERN1 (0.76) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL11663856 0.77 ERN1 (0.50) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL31152506 0.73 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL29407137 0.73 ERN1 (1.00) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL36440 0.73 ERN1 (1.00) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL16439936 0.73 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL11135272 0.71 ERN1 (0.43) ERN1TLR2TLR1TLR6ALDH1A1

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
EP-2794620-B1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NAT UNIV SINGAPORE (SG) 2017-11-15 — — EP disclosed
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