SCHEMBL4745401

SCHEMBL4745401

O=S(=O)(c1ccc(Sc2cccc3cccnc23)c2nonc12)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALOX15 P16050 3/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 3/20 0.40
COMT P21964 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 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
SCHEMBL4787536 0.86 ALDH1A1 (0.55) TSHRALOX15MAPK1MAPTHTT
SCHEMBL4746814 0.86 TP53 (0.43) TSHRALOX15MAPK1MAPTHTT
SCHEMBL4786255 0.85 L3MBTL1 (0.48) TSHRALOX15MAPK1MAPTSMN1; SMN2
SCHEMBL4787514 0.83 L3MBTL1 (0.52) TSHRALOX15HTTL3MBTL1GFER
SCHEMBL4786573 0.83 CCR1 (0.43) TSHRALOX15MAPK1MAPTHTT
SCHEMBL4785632 0.82 TP53 (0.38) MAPK1MAPTSMN1; SMN2TP53MEN1
SCHEMBL5244145 0.81 L3MBTL1 (0.50) TSHRALOX15MAPK1L3MBTL1KMT2A
SCHEMBL4742206 0.79 ALDH1A1 (0.43) MAPTHTTSMN1; SMN2TP53MEN1
SCHEMBL5242720 0.79 ALDH1A1 (0.67) TSHRALOX15MAPK1MAPTHTT
SCHEMBL4784036 0.79 TSHR (0.67) TSHRALOX15HTTSMN1; SMN2L3MBTL1

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