SCHEMBL4786255

SCHEMBL4786255

O=S(=O)(c1ccc(Sc2cccc3cccnc23)c2nonc12)N1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GFER P55789 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL4787514 0.88 L3MBTL1 (0.52) L3MBTL1TSHRALDH1A1ALOX15GFER
SCHEMBL5244145 0.86 L3MBTL1 (0.50) L3MBTL1TSHRALDH1A1MAPK1ALOX15
SCHEMBL4745401 0.85 TSHR (0.47) L3MBTL1TSHRALDH1A1MAPK1ALOX15
SCHEMBL5242720 0.83 ALDH1A1 (0.67) L3MBTL1TSHRALDH1A1MAPK1ALOX15
SCHEMBL4784036 0.83 TSHR (0.67) L3MBTL1TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4785121 0.82 TSHR (0.54) L3MBTL1TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4788589 0.82 PKLR (0.45) L3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL4788394 0.82 CHRM1 (0.48) L3MBTL1ALDH1A1MAPTSMN1; SMN2HTR6
SCHEMBL4787536 0.81 ALDH1A1 (0.55) L3MBTL1TSHRALDH1A1MAPK1ALOX15
SCHEMBL5242949 0.81 ALDH1A1 (0.53) L3MBTL1TSHRALDH1A1MAPK1ALOX15

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