SCHEMBL4948561

SCHEMBL4948561

O=C(Nc1cc(F)cc(N2CCOCC2)c1)C(=O)c1ccc(Br)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK14 Q16539 3/20 0.51
GPR183 P32249 1/20 0.47
PLAU P00749 1/20 0.44
BRAF P15056 1/20 0.41
DDR2 Q16832 1/20 0.41
CASP3 P42574 2/20 0.41
CASP7 P55210 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ACLY P53396 1/20 0.39
THRB P10828 1/20 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
SCHEMBL4949375 0.81 MAPK14 (0.78) MAPK14DDR2
SCHEMBL593301 0.76 DDR2 (0.67) MEN1KMT2AMAPK14BRAFDDR2
SCHEMBL6400541 0.74 PLAU (0.59) MEN1KMT2AMAPK14GPR183PLAU
SCHEMBL16106995 0.73 GPR183 (0.59) MEN1KMT2AMAPK14GPR183PLAU
SCHEMBL4948810 0.70 MAPK14 (0.75) MAPK14DDR2
SCHEMBL4949200 0.68 MAPK14 (1.00) MAPK14DDR2
SCHEMBL6883068 0.66 SMN1; SMN2 (0.54) MEN1KMT2AGPR183PLAUBRAF
SCHEMBL13043185 0.65 RAB9A (0.55) MEN1KMT2ACASP3CASP7ALDH1A1
SCHEMBL15007943 0.64 GPR183 (0.54) MEN1KMT2AMAPK14GPR183PLAU
SCHEMBL14155407 0.64 MAPK14 (0.42) MEN1KMT2AMAPK14ALDH1A1

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
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed