SCHEMBL6676673

SCHEMBL6676673

Cc1ccc([C]=O)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
MAPT P10636 1/20 0.41
HSP90AA1 P07900 1/20 0.41
AR P10275 2/20 0.40
APP P05067 1/20 0.39
BACE1 P56817 1/20 0.38
KIF11 P52732 4/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
XDH P47989 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
APOB P04114 1/20 0.36
MTTP P55157 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
SCHEMBL1133080 0.78 MAPT (0.46) KDM1AMAPTHSP90AA1APPBACE1
SCHEMBL12597779 0.77 APP (0.41) KDM1AMAPTHSP90AA1APPBACE1
SCHEMBL16906612 0.76 APP (0.46) KDM1AMAPTHSP90AA1APPBACE1
SCHEMBL26375405 0.76 KIF11 (0.42) KDM1AMAPTHSP90AA1ARAPP
SCHEMBL4200280 0.76 KIF11 (0.50) MAPTBACE1KIF11
SCHEMBL13236561 0.75 HSP90AA1 (0.45) KDM1AMAPTHSP90AA1APPBACE1
SCHEMBL30405787 0.74 CYP1A1 (0.46) KDM1AMAPTHSP90AA1APPBACE1
SCHEMBL29025141 0.74 KDM1A (0.44) KDM1AMAPTHSP90AA1APPBACE1
SCHEMBL3033286 0.73 PDE2A (0.39) MAPTKIF11
SCHEMBL6488781 0.73 RXRA (0.54) KDM1AAPPBACE1PSEN1PSEN2

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