SCHEMBL13770980

SCHEMBL13770980

COC(=O)Cc1nc(-c2ccc(S(F)(F)F)cc2)sc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
RARB P10826 3/20 0.37
RARA P10276 2/20 0.37
RARG P13631 2/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL820986 0.85 GAA (0.53) GAANPC1RAB9AALDH1A1LMNA
SCHEMBL6702417 0.83 GAA (0.61) GAANPC1RAB9AALDH1A1LMNA
SCHEMBL5105903 0.83 GAA (0.64) GAANPC1RAB9AALDH1A1LMNA
SCHEMBL13341907 0.82 GAA (0.48) GAANPC1RAB9AALDH1A1LMNA
SCHEMBL7507754 0.75 GAA (0.54) GAANPC1RAB9AALDH1A1LMNA
SCHEMBL6604649 0.74 TRPM8 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4893734 0.74 GAA (0.53) GAANPC1RAB9AALDH1A1LMNA
SCHEMBL4905523 0.72 MAPT (0.56) GAANPC1RAB9AALDH1A1KMT2A
SCHEMBL12154292 0.72 RAB9A (0.59) GAANPC1RAB9AALDH1A1LMNA
SCHEMBL969119 0.72 MEN1 (0.59) GAANPC1RAB9AALDH1A1KMT2A

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
EP-1740583-B1 OXADIAZOLONE DERIVATIVES AS PPAR DELTA AGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-01 EP disclosed