SCHEMBL10964950

SCHEMBL10964950

CCOC(=O)CSc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 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
SCHEMBL10344874 0.87 TDP1 (0.61) ALDH1A1MAPTGAATDP1THRB
SCHEMBL10888484 0.80 GAA (0.48) ALDH1A1MAPTGAATDP1MEN1
SCHEMBL11160981 0.80 TDP1 (0.48) ALDH1A1MAPTTDP1THRBMEN1
SCHEMBL5748508 0.79 MAPT (0.53) ALDH1A1MAPTGAATDP1KMT2A
SCHEMBL11310937 0.79 MEN1 (0.48) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL10928036 0.77 MEN1 (0.58) ALDH1A1MAPTTDP1THRBMEN1
SCHEMBL10951558 0.76 MEN1 (0.41) ALDH1A1MAPTGAATDP1THRB
SCHEMBL11025179 0.76 MEN1 (0.56) ALDH1A1MAPTTDP1THRBMEN1
SCHEMBL30934663 0.75 MEN1 (0.47) ALDH1A1MAPTGAATDP1MEN1
SCHEMBL11173503 0.75 MEN1 (0.47) ALDH1A1MAPTGAATDP1MEN1

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-0056119-B1 SUBSTITUTED DIPHENYL ETHERS, HERBICIDES CONTAINING THEM AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed