SCHEMBL8722344

SCHEMBL8722344

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)S

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
ALDH1A1 P00352 7/20 0.69
MAPT P10636 4/20 0.69
GAA P10253 2/20 0.69
LMNA P02545 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.64
PTGS2 P35354 2/20 0.63
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
GPBAR1 Q8TDU6 1/20 0.60
GLA P06280 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL10333068 0.88 TSHR (0.73) TSHRALDH1A1MAPTGAALMNA
SCHEMBL316185 0.86 ALDH1A1 (0.76) TSHRALDH1A1MAPTGAALMNA
SCHEMBL3451560 0.86 TSHR (0.75) TSHRALDH1A1MAPTGAALMNA
SCHEMBL10333070 0.84 TSHR (1.00) TSHRALDH1A1MAPTGAALMNA
SCHEMBL11894104 0.82 POLB (0.77) TSHRALDH1A1MAPTGAALMNA
SCHEMBL3554810 0.82 GPBAR1 (0.72) TSHRALDH1A1MAPTGAALMNA
SCHEMBL7058846 0.81 TSHR (0.72) TSHRALDH1A1MAPTGAALMNA
SCHEMBL16448979 0.80 TSHR (0.66) TSHRALDH1A1MAPTGAALMNA
SCHEMBL8722346 0.79 ALDH1A1 (0.75) TSHRALDH1A1MAPTGAALMNA
SCHEMBL12457296 0.79 TSHR (0.69) TSHRALDH1A1MAPTGAALMNA

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-0879237-A1 ISOOXACEPHEM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-11-25 EP disclosed
WO-1997026260-A1 ISOOXACEPHEM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-24 WO disclosed