SCHEMBL9852601

SCHEMBL9852601

CCc1cc(Oc2ccc(Cl)cc2Cl)cc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
TTR P02766 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PPOX P50336 1/20 0.47
MRGPRX4 Q96LA9 7/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 2/20 0.44
CHRM1 P11229 1/20 0.42
MCL1 Q07820 1/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 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
SCHEMBL9788466 0.86 TDP1 (0.66) TDP1TTRMEN1KMT2APPOX
SCHEMBL3304697 0.86 TDP1 (0.56) TDP1TTRMEN1KMT2APPOX
SCHEMBL11264191 0.85 TDP1 (0.46) TDP1TTRMEN1KMT2APPOX
SCHEMBL11263520 0.85 TDP1 (0.46) TDP1TTRMEN1KMT2APPOX
SCHEMBL11263525 0.85 TDP1 (0.46) TDP1TTRMEN1KMT2APPOX
SCHEMBL8993430 0.78 PKM (0.37) TDP1TTRMEN1KMT2APPOX
SCHEMBL2730973 0.77 TDP1 (0.76) TDP1TTRMEN1KMT2APPOX
SCHEMBL6421578 0.77 TDP1 (0.56) TDP1TTRMEN1KMT2APPOX
SCHEMBL11263627 0.77 TDP1 (0.57) TDP1TTRMEN1KMT2APPOX
SCHEMBL10499994 0.76 MEN1 (0.64) TDP1TTRMEN1KMT2APPOX

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-0415212-A1 Aryloxynaphthalene derivatives BAYER AG (DE) 1991-03-06 EP disclosed
EP-0391187-A2 Substituted 4-amino-5-alkylthio-1,2,4-triazol-3-ones BAYER AG (DE) 1990-10-10 EP disclosed