SCHEMBL4787536

SCHEMBL4787536

O=S(=O)(c1ccc(Sc2cccc3cccnc23)c2nonc12)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 5/20 0.54
ALOX15 P16050 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL5242720 0.92 ALDH1A1 (0.67) ALDH1A1GAAMAPTALOX15SMN1; SMN2
SCHEMBL4745401 0.86 TSHR (0.47) ALDH1A1GAAMAPTALOX15SMN1; SMN2
SCHEMBL5244145 0.85 L3MBTL1 (0.50) ALDH1A1GAAALOX15TSHRMAPK1
SCHEMBL4787514 0.85 L3MBTL1 (0.52) ALDH1A1GAAALOX15HTTTSHR
SCHEMBL4786573 0.84 CCR1 (0.43) ALDH1A1GAAMAPTALOX15SMN1; SMN2
SCHEMBL5242949 0.83 ALDH1A1 (0.53) ALDH1A1GAAMAPTALOX15SMN1; SMN2
SCHEMBL8154008 0.82 MAPT (0.49) ALDH1A1MAPTALOX15TSHRMEN1
SCHEMBL5244384 0.81 HSD11B1 (0.49) ALDH1A1GAAALOX15L3MBTL1KDM4E
SCHEMBL4786255 0.81 L3MBTL1 (0.48) ALDH1A1MAPTALOX15SMN1; SMN2TSHR
SCHEMBL5245687 0.81 HSD11B1 (0.52) ALDH1A1GAAMAPTSMN1; SMN2HTT

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-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed