SCHEMBL6287042

SCHEMBL6287042

CCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CHRNA7 P36544 1/20 0.35
MAPT P10636 4/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 4/20 0.33
CXCR3 P49682 4/20 0.33
LMNA P02545 2/20 0.33
ABL1 P00519 1/20 0.33
GCGR P47871 1/20 0.33
POLB P06746 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL6035584 0.86 SMN1; SMN2 (0.37) SMN1; SMN2HPGDCHRNA7MAPTNPC1
SCHEMBL6035096 0.84 SMN1; SMN2 (0.38) SMN1; SMN2HPGDCHRNA7MAPTNPC1
SCHEMBL6035933 0.83 GAA (0.36) SMN1; SMN2HPGDGPR119CHRNA7MAPT
SCHEMBL6036080 0.82 SMN1; SMN2 (0.36) SMN1; SMN2HPGDGPR119CHRNA7MAPT
SCHEMBL6036156 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HPGDCHRNA7MAPTNPC1
SCHEMBL6035509 0.79 SMN1; SMN2 (0.37) SMN1; SMN2HPGDCHRNA7MAPTNPC1
SCHEMBL6036282 0.77 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMAPTGAANPC1
SCHEMBL6034663 0.77 PPARG (0.44) SMN1; SMN2HPGDGCGR
SCHEMBL6035883 0.77 SMN1; SMN2 (0.38) SMN1; SMN2HPGDCHRNA7MAPTNPC1
SCHEMBL6035136 0.77 PPARA (0.40) SMN1; SMN2HPGDMAPTNPC1RAB9A

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
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed