SCHEMBL27868280

SCHEMBL27868280

[CH2]C1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.42
DPP4 P27487 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
S100B P04271 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
LGMN Q99538 2/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 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
SCHEMBL2053813 0.82 GAA (0.51) NOTUMGAAMAPTMAPK1HTT
SCHEMBL962246 0.82 HTT (0.56) NOTUMGAAMAPTMAPK1HTT
SCHEMBL2967963 0.82 NOTUM (0.48) NOTUMDPP4GAAMAPTMAPK1
SCHEMBL2977643 0.82 NOTUM (0.48) NOTUMDPP4GAAMAPTMAPK1
SCHEMBL2967961 0.82 NOTUM (0.48) NOTUMDPP4GAAMAPTMAPK1
SCHEMBL2980263 0.81 NOTUM (0.42) NOTUMDPP4SIRT6LGMN
SCHEMBL27884820 0.81 NOTUM (0.40) NOTUMDPP4GAAMAPTMAPK1
SCHEMBL2012912 0.81 HTT (0.59) NOTUMGAAMAPTMAPK1HTT
SCHEMBL2050735 0.79 NOTUM (0.49) NOTUMDPP4
SCHEMBL2832366 0.79 PDK2 (0.48) NOTUMDPP4HTTKDM4E

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
CN-102652128-A 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters VERTEX PHARMA 2012-08-29 CN disclosed