SCHEMBL8033899

SCHEMBL8033899

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CCC2CCCCC2)c2ccccc2OCC(=O)N(C)c2cc(F)cc(F)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CASR P41180 1/20 0.34
CCR3 P51677 3/20 0.33
HTR2A P28223 2/20 0.33
ACHE P22303 2/20 0.33
CCKBR P32239 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
ROCK2 O75116 1/20 0.32
HPGD P15428 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
ACKR3 P25106 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
SCHEMBL8034117 0.99 KMT2A (0.35) KMT2AMEN1CASRCCR3HTR2A
SCHEMBL8033770 0.94 MEN1 (0.35) KMT2AMEN1CCR3HTR2ASMN1; SMN2
SCHEMBL8030169 0.94 CNR1 (0.36) KMT2AMEN1CASRCCR3HTR2A
SCHEMBL8033886 0.93 KMT2A (0.35) KMT2AMEN1CCR3HTR2ASMN1; SMN2
SCHEMBL8020921 0.93 ACHE (0.35) KMT2AMEN1CASRCCR3HTR2A
SCHEMBL8036711 0.93 CASR (0.34) CASRCCR3HTR2ASMN1; SMN2EPHX1
SCHEMBL8033867 0.91 CASR (0.35) KMT2AMEN1CASRCCR3HTR2A
SCHEMBL8030240 0.90 CASR (0.34) KMT2AMEN1CASRCCR3HTR2A
SCHEMBL8030198 0.90 EPHX2 (0.40) KMT2AMEN1CASRACHEEPHX1
SCHEMBL8020801 0.89 EPHX1 (0.39) KMT2AMEN1HTR2AEPHX1EPHX2

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