SCHEMBL8155705

SCHEMBL8155705

O=S(=O)(c1ccc(Sc2cccc3cccnc23)c2nonc12)N1CCC(O)(C2=CCCC=C2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
FABP1 P07148 5/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CXCR5 P32302 1/20 0.35
APLNR P35414 1/20 0.35
HTT P42858 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL8150778 0.90 L3MBTL1 (0.41) L3MBTL1FABP1ALDH1A1GAATSHR
SCHEMBL4786465 0.86 PKLR (0.47) L3MBTL1FABP1ALDH1A1GAAMAPT
SCHEMBL8152661 0.85 L3MBTL1 (0.41) L3MBTL1FABP1ALDH1A1GAATSHR
SCHEMBL4787288 0.85 PKLR (0.48) L3MBTL1FABP1ALDH1A1GAA
SCHEMBL8152556 0.85 L3MBTL1 (0.39) L3MBTL1FABP1ALDH1A1GAATSHR
SCHEMBL4788589 0.85 PKLR (0.45) L3MBTL1FABP1ALDH1A1GAAMAPT
SCHEMBL4787598 0.85 PKLR (0.48) L3MBTL1FABP1ALDH1A1GAAHTR2A
SCHEMBL4786573 0.83 CCR1 (0.43) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL4788077 0.83 PKLR (0.47) L3MBTL1ALDH1A1GAA
SCHEMBL4786322 0.81 PKLR (0.45) L3MBTL1FABP1ALDH1A1GAATSHR

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 disclosed