SCHEMBL3714895

SCHEMBL3714895

CC(O)Oc1cccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.54
KCNH2 Q12809 6/20 0.54
BRD4 O60885 5/20 0.54
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.47
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DPP4 P27487 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL2265100 0.84 AR (0.58) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL2264757 0.83 HTT (0.57) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL2265318 0.81 MAPT (0.54) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL2264697 0.81 HTT (0.57) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL12368262 0.80 MAPT (0.70) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL2267721 0.80 AR (0.54) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL2263793 0.80 AR (0.54) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL3663255 0.76 AR (0.51) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL2266272 0.76 AR (0.50) ARKCNH2BRD4MAPTALDH1A1
SCHEMBL748865 0.76 HTT (0.62) ARKCNH2BRD4MAPTALDH1A1

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-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed