SCHEMBL4769760

SCHEMBL4769760

NC(=O)Nc1cc(N2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.52
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
BRAF P15056 4/20 0.46
KDR P35968 3/20 0.46
DAPK1 P53355 1/20 0.46
ALDH1A1 P00352 1/20 0.45
AKR1C3 P42330 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAF1 P04049 2/20 0.44
GAA P10253 1/20 0.44
LRRK2 Q5S007 1/20 0.43
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
SCHEMBL1927233 0.88 CSF1R (0.55) CSF1RLMNAMAPTBRAFKDR
SCHEMBL7645864 0.82 MAPT (0.55) CSF1RLMNAMAPTALDH1A1MEN1
SCHEMBL27836763 0.80 EPHX2 (0.56) BRAFALDH1A1
SCHEMBL16620552 0.79 MAPT (0.63) LMNAMAPTALDH1A1AKR1C3MEN1
SCHEMBL16907437 0.79 GAA (0.58) CSF1RMAPTBRAFKDRALDH1A1
SCHEMBL7645869 0.79 CSF1R (0.48) CSF1RLMNAMAPTBRAFKDR
SCHEMBL7645874 0.78 MAPT (0.47) CSF1RLMNAMAPTBRAFKDR
SCHEMBL1420146 0.77 CSF1R (0.60) CSF1RLMNAMAPTBRAFALDH1A1
SCHEMBL30087055 0.77 TMPRSS4 (0.68) CSF1RKDRMEN1KMT2A
SCHEMBL28916400 0.77 TMPRSS4 (0.68) CSF1RKDRMEN1KMT2A

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-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO disclosed