SCHEMBL9447258

SCHEMBL9447258

O=C=Nc1ccc(Cl)c(N=C=O)c1.O=C=Nc1ccc(N=C=O)cc1.O=C=Nc1cccc(N=C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
MAPK1 P28482 1/20 0.59
CYP3A4 P08684 4/20 0.51
TRPA1 O75762 1/20 0.51
TSHR P16473 1/20 0.40
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.31

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
SCHEMBL29365125 0.91 TDP1 (0.70) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL49899 0.91 TDP1 (0.70) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL11228791 0.86 TDP1 (0.58) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL11228792 0.86 TDP1 (0.58) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL13719391 0.83 CYP3A4 (0.57) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL8746590 0.83 TDP1 (0.56) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL10615043 0.79 TDP1 (0.54) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL27873 0.79 TDP1 (0.54) TDP1MAPK1CYP3A4TRPA1TSHR
Toluene SCHEMBL11667802 0.79 CYP3A4 (0.51) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL10533118 0.78 TDP1 (0.58) TDP1MAPK1CYP3A4TRPA1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523198-A1 IMPREGNATED POROUS GRANULES FOR CONTROLLED RELEASE OF LIQUID MATERIAL AND PROCESS THEREFOR. ICI AMERICA INC (US) 1993-01-20 EP disclosed
WO-1992010093-A1 IMPREGNATED POROUS GRANULES FOR CONTROLLED RELEASE OF LIQUID MATERIAL AND PROCESS THEREFOR ICI AMERICAS INC. (US) 1992-06-25 WO disclosed