SCHEMBL8034117

SCHEMBL8034117

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CCC2CCCC2)c2ccccc2OCC(=O)N(C)c2cc(F)cc(F)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CCR3 P51677 5/20 0.34
HTR2A P28223 3/20 0.33
ACHE P22303 2/20 0.33
CCKBR P32239 1/20 0.33
CASR P41180 1/20 0.33
ROCK2 O75116 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
BDKRB2 P30411 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL8033899 0.99 KMT2A (0.34) KMT2AMEN1CCR3HTR2AACHE
SCHEMBL8020921 0.94 ACHE (0.35) KMT2AMEN1CCR3HTR2AACHE
SCHEMBL8033886 0.94 KMT2A (0.35) KMT2AMEN1CCR3HTR2ASMN1; SMN2
SCHEMBL8033770 0.93 MEN1 (0.35) KMT2AMEN1CCR3HTR2ASMN1; SMN2
SCHEMBL8030169 0.93 CNR1 (0.36) KMT2AMEN1CCR3HTR2AACHE
SCHEMBL8036711 0.92 CASR (0.34) CCR3HTR2ACASRROCK2SMN1; SMN2
SCHEMBL8030240 0.91 CASR (0.34) KMT2AMEN1CCR3HTR2AACHE
SCHEMBL8033867 0.90 CASR (0.35) KMT2AMEN1CCR3HTR2AACHE
SCHEMBL8020801 0.90 EPHX1 (0.39) KMT2AMEN1HTR2ABDKRB2GAA
SCHEMBL8030198 0.89 EPHX2 (0.40) KMT2AMEN1ACHECASRBDKRB2

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed