SCHEMBL14101966

SCHEMBL14101966

FC(F)(F)c1ccc(N2CCCC2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
NOTUM Q6P988 6/20 0.44
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDK2 Q15119 2/20 0.41
TERT O14746 3/20 0.41
S100B P04271 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL21718932 0.82 MAPT (0.41) ARLMNAMAPK1HTTTERT
SCHEMBL21718915 0.81 ALDH1A1 (0.42) LMNAMAPK1HTTSMN1; SMN2PDK2
SCHEMBL15117143 0.79 AR (0.49) ARNOTUMLMNAMAPK1HTT
SCHEMBL2939917 0.79 AR (0.49) ARNOTUMLMNAMAPK1HTT
SCHEMBL14101955 0.79 S100B (0.56) ARNOTUMLMNAMAPK1HTT
SCHEMBL4723399 0.77 NOTUM (0.48) ARNOTUM
SCHEMBL4723392 0.77 NOTUM (0.48) ARNOTUM
SCHEMBL9830003 0.77 TERT (0.48) LMNAMAPK1HTTSMN1; SMN2TERT
SCHEMBL22043051 0.76 MAPT (0.38) LMNAMAPK1HTTSMN1; SMN2TERT
SCHEMBL962246 0.75 HTT (0.56) ARNOTUMLMNAMAPK1HTT

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed