SCHEMBL6986464

SCHEMBL6986464

FC(F)(F)c1ccc(CSc2[c]cccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.45
ALOX15B O15296 1/20 0.45
DAO P14920 1/20 0.44
IDO1 P14902 2/20 0.42
DRD2 P14416 1/20 0.42
MAOB P27338 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SCN9A Q15858 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
TOP2A P11388 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL4302 0.81 POLB (0.44) L3MBTL1DAOIDO1MAOBALDH1A1
SCHEMBL8991864 0.78 MAPK1 (0.47) L3MBTL1DAODRD2MAOBALDH1A1
SCHEMBL4807017 0.75 ALDH1A1 (0.40) MAPTIDO1MAOBALDH1A1TAAR1
SCHEMBL13319914 0.74 MAPT (0.58) MAPTL3MBTL1ALOX15BDAOIDO1
Ammonia Solution, Strong SCHEMBL6900996 0.73 MAPT (0.57) MAPTL3MBTL1ALOX15BDAOIDO1
SCHEMBL6715685 0.72
SCHEMBL8995181 0.71
SCHEMBL3889144 0.70 MAPT (0.54) MAPTL3MBTL1ALOX15BDAOIDO1
SCHEMBL13319587 0.70 MAPT (0.53) MAPTL3MBTL1ALOX15BIDO1MAOB
SCHEMBL1982483 0.69

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed