SCHEMBL8030426

SCHEMBL8030426

CN(C(=O)COc1ccccc1N(CC1CCCC1)C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
CCR3 P51677 4/20 0.34
HTR2A P28223 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PTGIR P43119 1/20 0.33
HPSE Q9Y251 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP19A1 P11511 1/20 0.32
POLB P06746 2/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8030316 0.99 MEN1 (0.35) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8020921 0.94 ACHE (0.35) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8033886 0.94 KMT2A (0.35) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8034130 0.94 KMT2A (0.42) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8030169 0.93 CNR1 (0.36) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8033770 0.93 MEN1 (0.35) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8020796 0.93 KMT2A (0.41) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8036083 0.93 KMT2A (0.41) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8031812 0.92 KMT2A (0.42) KMT2AMEN1GAACCR3HTR2A
SCHEMBL8029560 0.92 MEN1 (0.36) KMT2AMEN1GAACCR3HTR2A

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