SCHEMBL7814232

SCHEMBL7814232

CN(C)c1ccccc1NC(N)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
TYR P14679 1/20 0.45
TAS2R38 P59533 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNQ2 O43526 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
SCHEMBL30356302 1.00 L3MBTL1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL11166274 0.86 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL11704484 0.84 KCNQ2 (0.44) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL5898502 0.84 MAPT (0.47) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL2942491 0.82 KCNQ2 (0.50) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL30356288 0.80 L3MBTL1 (0.49) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL7500203 0.79 GAA (0.54) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL7593748 0.79 L3MBTL1 (0.71) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL30356289 0.77 KMT2A (0.43) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL9576991 0.75 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed