SCHEMBL6678296

SCHEMBL6678296

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc(OC(N)=O)cc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
S1PR1 P21453 16/20 0.46
S1PR3 Q99500 8/20 0.46
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6683660 0.86 S1PR1 (0.48) S1PR1S1PR3LMNA
SCHEMBL6677363 0.83 NPC1 (0.48) POLBS1PR1S1PR3MAPTLMNA
SCHEMBL6682444 0.80 TLR8 (0.47) POLBGAAALDH1A1MAPTHPGD
SCHEMBL6677407 0.80 MAPT (0.51) POLBGAAS1PR1S1PR3ALDH1A1
SCHEMBL6677053 0.78 ITGB1 (0.44) POLBGAAS1PR1S1PR3MAPT
SCHEMBL6501138 0.76 MAPT (0.44) POLBGAAS1PR1S1PR3MAPT
SCHEMBL6682828 0.75 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL6679699 0.75 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL6640573 0.75 LMNA (0.52) POLBS1PR1S1PR3ALDH1A1MAPT
SCHEMBL6685612 0.75 S1PR1 (0.46) GAAS1PR1S1PR3ALDH1A1MAPT

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed