SCHEMBL11047126

SCHEMBL11047126

O=[N+]([O-])c1c(Oc2ccccc2)ccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 1/20 0.56
TTR P02766 1/20 0.56
ALB P02768 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
EPAS1 Q99814 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
VEGFA P15692 1/20 0.44
TLR8 Q9NR97 1/20 0.43
TSHR P16473 1/20 0.43
PDE7A Q13946 2/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
HPGD P15428 1/20 0.41
PIN1 Q13526 1/20 0.41
HPSE Q9Y251 1/20 0.40

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
SCHEMBL11283981 0.83 TDP1 (0.51) TDP1MEN1TTRALBTHRB
SCHEMBL10482222 0.82 TLR8 (0.60) TDP1MEN1TTRALBTHRB
SCHEMBL11206306 0.81 MEN1 (0.50) TDP1MEN1TTRALBTHRB
SCHEMBL11057107 0.81 EPAS1 (0.52) TDP1MEN1TTRALBTHRB
SCHEMBL11333931 0.80 TSHR (0.46) TDP1MEN1TTRALBTHRB
SCHEMBL11207386 0.80 MEN1 (0.52) TDP1MEN1TTRALBTHRB
SCHEMBL10979888 0.78 TDP1 (0.50) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11068601 0.77 TDP1 (0.49) TDP1MEN1TTRALBTHRB
SCHEMBL4363285 0.77 MEN1 (0.59) TDP1MEN1TTRALBTHRB
SCHEMBL10883530 0.76 TDP1 (0.71) TDP1MEN1TTRALBTHRB

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-4478852-A FUNGICIDES CELAMERCK GMBH & CO. KG. (DE) 1984-10-23 US disclosed