SCHEMBL7123666

SCHEMBL7123666

O=C1CSC(c2ccccc2C(F)(F)F)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.56
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CMA1 P23946 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL745316 0.80 MGAM (0.54) MGAMHPGDKMT2AMEN1ALDH1A1
SCHEMBL744938 0.79 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTHCRTR1
SCHEMBL5156183 0.78 MGAM (0.57) MGAMHPGDKMT2AMEN1ALDH1A1
SCHEMBL5155140 0.74 ALDH1A1 (0.49) MGAMHPGDALDH1A1L3MBTL1MAPK1
SCHEMBL11052630 0.74 MAPT (0.70) MGAMHPGDALDH1A1L3MBTL1MAPK1
SCHEMBL747904 0.74 HCRTR1 (0.66) MGAMKMT2AMEN1ALDH1A1MAPK1
SCHEMBL746415 0.73 MGAM (0.47) MGAMHPGDKMT2AMEN1ALDH1A1
SCHEMBL5152366 0.73 MGAM (0.64) MGAMHPGDKMT2AMEN1ALDH1A1
SCHEMBL5151401 0.73 KMT2A (0.50) MGAMHPGDKMT2AMEN1ALDH1A1
SCHEMBL5152422 0.73 MGAM (0.58) MGAMHPGDKMT2AMEN1ALDH1A1

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
WO-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed